Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C6H11NO3

Suppliers	Catalog Number
ChemBridge	4031572
Matrix Scientific	064389
Enamine	EN300-96666

Database	Data ID
PubChem	2734401

M. W.

145.15644

CAS

39124-20-4

Similarity

N/A

ID: 59202

1-aminocycloheptane-1-carbonitrile

$$$$ Data

M. F.

C8H14N2

Suppliers	Catalog Number
Matrix Scientific	064390
Enamine	EN300-31796

Database	Data ID
PubChem	14221139

M. W.

138.21016

CAS

Similarity

N/A

ID: 59203

2-bromo-6-hydrazinylpyridine

$$$$ Data More

M. F.

C5H6BrN3

Suppliers	Catalog Number
ChemBridge	4043654
Matrix Scientific	064391
Apollo Scientific	OR13857

Database	Data ID
PubChem	19392588

M. W.

188.02524

CAS

26944-71-8

Similarity

N/A

ID: 59204

2-(chloromethyl)-N-[(3-chlorophenyl)methyl]quinazolin-4-amine

$$$$ Data

M. F.

C16H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	064392

Database	Data ID
PubChem	51342183

M. W.

318.20052

CAS

Similarity

N/A

ID: 59205

2-(chloromethyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

$$$$ Data

M. F.

C15H13ClN4

Suppliers	Catalog Number
Matrix Scientific	064393

Database	Data ID
PubChem	51342184

M. W.

284.74352

CAS

Similarity

N/A

ID: 59206

2-(chloromethyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

$$$$ Data

M. F.

C17H16ClN3O

Suppliers	Catalog Number
Matrix Scientific	064394

Database	Data ID
PubChem	51342185

M. W.

313.78144

CAS

Similarity

N/A

ID: 59207

4-chloro-6-(chloromethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C7H6Cl2N4

Suppliers	Catalog Number
Matrix Scientific	064395
Enamine	EN300-68792

Database	Data ID
PubChem	50989019

M. W.

217.05534

CAS

Similarity

N/A

ID: 59208

1-methylpiperidine-4-carboxamide

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
Matrix Scientific	064396
A&J Pharmtech	AJA-O31555

Database	Data ID
PubChem	339011

M. W.

142.19886

CAS

62718-28-9

Similarity

N/A

ID: 59209

6-(chloromethyl)-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

$$$$ Data

M. F.

C8H10ClN5

Suppliers	Catalog Number
Matrix Scientific	064397

Database	Data ID
PubChem	51342186

M. W.

211.6515

CAS

Similarity

N/A

ID: 59210

4-propyloxane-4-carboximidamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Matrix Scientific	064398

Database	Data ID
PubChem	51342187

M. W.

170.25202

CAS

Similarity

N/A

ID: 59211

2-(chloromethyl)-4-(morpholin-4-yl)quinazoline

$$$$ Data

M. F.

C13H14ClN3O

Suppliers	Catalog Number
Matrix Scientific	064399

Database	Data ID
PubChem	51342188

M. W.

263.72276

CAS

Similarity

N/A

ID: 59212

2-(aminomethyl)-6-chloro-N-cyclopentylquinazolin-4-amine

$$$$ Data

M. F.

C14H17ClN4

Suppliers	Catalog Number
Matrix Scientific	064400

Database	Data ID
PubChem	51342189

M. W.

276.76458

CAS

Similarity

N/A

ID: 59213

2-(chloromethyl)-N-(2-methoxyethyl)quinazolin-4-amine

$$$$ Data

M. F.

C12H14ClN3O

Suppliers	Catalog Number
Matrix Scientific	064401

Database	Data ID
PubChem	51342190

M. W.

251.71206

CAS

Similarity

N/A

ID: 59214

5-amino-1,3,4-oxadiazole-2-carboximidamide

$$$$ Data

M. F.

C3H5N5O

Suppliers	Catalog Number
Matrix Scientific	064402

Database	Data ID
PubChem	51342191

M. W.

127.1047

CAS

Similarity

N/A

ID: 59215

oxane-4-carboxamide

$$$$ Data

M. F.

C6H11NO2

Suppliers	Catalog Number
Matrix Scientific	064403
Maybridge	CC29917
Apollo Scientific	OR9367

Database	Data ID
PubChem	13197203

M. W.

129.15704

CAS

344329-76-6

Similarity

N/A

ID: 59216

4,6-dichloro-2-(chloromethyl)quinazoline

$$$$ Data

M. F.

C9H5Cl3N2

Suppliers	Catalog Number
Matrix Scientific	064404

Database	Data ID
PubChem	20093994

M. W.

247.5084

CAS

Similarity

N/A

ID: 59217

4-chloro-2-(chloromethyl)-6-methylquinazoline

$$$$ Data

M. F.

C10H8Cl2N2

Suppliers	Catalog Number
Matrix Scientific	064405

Database	Data ID
PubChem	20093927

M. W.

227.08992

CAS

Similarity

N/A

ID: 59218

4-chloro-2-(chloromethyl)thieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C7H4Cl2N2S

Suppliers	Catalog Number
Matrix Scientific	064406

Database	Data ID
PubChem	20094142

M. W.

219.09106

CAS

Similarity

N/A

ID: 59219

ethyl N-[2-(2-imino-2,3-dihydro-1,3-thiazol-3-yl)acetyl]carbamate

$$$$ Data

M. F.

C8H11N3O3S

Suppliers	Catalog Number
Matrix Scientific	064407

Database	Data ID
PubChem	51342192

M. W.

229.25624

CAS

Similarity

N/A

ID: 59220

ethyl N-(2-chloroacetyl)carbamate

$$$$ Data

M. F.

C5H8ClNO3

Suppliers	Catalog Number
Matrix Scientific	064408

Database	Data ID
PubChem	233830

M. W.

165.57492

CAS

6092-47-3

Similarity

N/A

ID: 59221

4-(2-fluoroethyl)oxane-4-carbonitrile

$$$$ Data

M. F.

C8H12FNO

Suppliers	Catalog Number
Matrix Scientific	064409

Database	Data ID
PubChem	51342193

M. W.

157.1853832

CAS

Similarity

N/A

ID: 59222

1-(2-fluoroethyl)cyclobutane-1-carbonitrile

$$$$ Data

M. F.

C7H10FN

Suppliers	Catalog Number
Matrix Scientific	064410

Database	Data ID
PubChem	51342194

M. W.

127.1594032

CAS

Similarity

N/A

ID: 59223

3-methoxy-2-methylpropanenitrile

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Matrix Scientific	064411
Enamine	EN300-61926

Database	Data ID
PubChem	13236258

M. W.

99.13106

CAS

Similarity

N/A

ID: 59224

1-cyclohexyl-octahydropyrrolo[1,2-a]piperazine

$$$$ Data

M. F.

C13H24N2

Suppliers	Catalog Number
Matrix Scientific	064412

Database	Data ID
PubChem	3360111

M. W.

208.34306

CAS

Similarity

N/A

ID: 59225

5-propyl-1,2,4-oxadiazol-3-amine

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
ChemBridge	4040751
Matrix Scientific	064413

Database	Data ID
PubChem	15209808

M. W.

127.14446

CAS

171006-99-8

Similarity

N/A

ID: 59226

3-chloro-5-phenyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
ChemBridge	4039921
Matrix Scientific	064414

Database	Data ID
PubChem	14289419

M. W.

180.5911

CAS

23432-93-1

Similarity

N/A

ID: 59227

5-cyclopropyl-1,2,4-oxadiazol-3-amine

$$$$ Data

M. F.

C5H7N3O

Suppliers	Catalog Number
ChemBridge	4040300
Matrix Scientific	064415
Enamine	EN300-98877

Database	Data ID
PubChem	51072255

M. W.

125.12858

CAS

868696-42-8

Similarity

N/A

ID: 59228

3-bromo-5-(propan-2-yl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C5H7BrN2O

Suppliers	Catalog Number
ChemBridge	4040094
Matrix Scientific	064416

Database	Data ID
PubChem	5323963

M. W.

191.02588

CAS

121562-07-0

Similarity

N/A

ID: 59229

5-methyl-1,2,4-oxadiazol-3-amine

$$$$ Data More

M. F.

C3H5N3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00048
ChemBridge	4014408
Matrix Scientific	064417

Database	Data ID
PubChem	12255141

M. W.

99.0913

CAS

40483-47-4

Similarity

N/A

ID: 59230

(5-methyl-1,2,4-oxadiazol-3-yl)methanol

$$$$ Data More

M. F.

C4H6N2O2

Suppliers	Catalog Number
ChemBridge	4010305
Matrix Scientific	064418
Enamine	EN300-64615

Database	Data ID
PubChem	16767502

M. W.

114.10264

CAS

25977-23-5

Similarity

N/A

ID: 59231

3-chloro-5-hydrazinyl-1-methyl-1H-1,2,4-triazole

$$$$ Data

M. F.

C3H6ClN5

Suppliers	Catalog Number
Matrix Scientific	064419

Database	Data ID
PubChem	51342195

M. W.

147.56624

CAS

Similarity

N/A

ID: 59232

4-bromo-3-methyl-1H-pyrazole-5-carbaldehyde

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
ChemBridge	4040849
Matrix Scientific	064420

Database	Data ID
PubChem	51000399

M. W.

189.01

CAS

Similarity

N/A

ID: 59233

3-cyclopropyl-1H-pyrazole-5-carbaldehyde

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
ChemBridge	4019850
Matrix Scientific	064421

Database	Data ID
PubChem	45923682

M. W.

136.15122

CAS

Similarity

N/A

ID: 59234

4-(4-bromo-1H-pyrazol-3-yl)pyridine

$$$$ Data

M. F.

C8H6BrN3

Suppliers	Catalog Number
ChemBridge	4035217
Matrix Scientific	064422

Database	Data ID
PubChem	45926067

M. W.

224.05734

CAS

166196-54-9

Similarity

N/A

ID: 59235

2-(4-bromo-1H-pyrazol-5-yl)pyridine

$$$$ Data

M. F.

C8H6BrN3

Suppliers	Catalog Number
ChemBridge	4035052
Matrix Scientific	064423

Database	Data ID
PubChem	18704283

M. W.

224.05734

CAS

166196-52-7

Similarity

N/A

ID: 59236

3-(1H-indazol-1-yl)propanenitrile

$$$$ Data

M. F.

C10H9N3

Suppliers	Catalog Number
Matrix Scientific	064424

Database	Data ID
PubChem	3244150

M. W.

171.19856

CAS

Similarity

N/A

ID: 59237

1-(indolizin-2-yl)ethan-1-one

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
ChemBridge	4002595
Matrix Scientific	064425

Database	Data ID
PubChem	12247274

M. W.

159.18456

CAS

58475-97-1

Similarity

N/A

ID: 59238

ethyl 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Matrix Scientific	064426

Database	Data ID
PubChem	51342196

M. W.

219.23982

CAS

Similarity

N/A

ID: 59239

5-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data More

M. F.

C3H5N3S

Suppliers	Catalog Number
Matrix Scientific	064427
Apollo Scientific	OR22422
Enamine	EN300-25558

Database	Data ID
PubChem	1538728

M. W.

115.1569

CAS

7271-44-5

Similarity

N/A

ID: 59240

(Z)-N'-hydroxy-2-(methylsulfanyl)ethenimidamide

$$$$ Data

M. F.

C3H8N2OS

Suppliers	Catalog Number
ChemBridge	4042689
Matrix Scientific	064428

Database	Data ID
PubChem	9648477

M. W.

120.17342

CAS

104608-67-5

Similarity

N/A

ID: 59241

(Z)-N',3-dihydroxypropimidamide

$$$$ Data

M. F.

C3H8N2O2

Suppliers	Catalog Number
ChemBridge	4044130
Matrix Scientific	064429
Enamine	EN300-65286

Database	Data ID
PubChem	9622258

M. W.

104.10782

CAS

53370-50-6

Similarity

N/A

ID: 59242

4-[(Z)-N'-hydroxycarbamimidoyl]benzoic acid

$$$$ Data

M. F.

C8H8N2O3

Suppliers	Catalog Number
Matrix Scientific	064430

Database	Data ID
PubChem	10535365

M. W.

180.16072

CAS

Similarity

N/A

ID: 59243

(Z)-N'-hydroxypyrimidine-2-carboximidamide

$$$$ Data More

M. F.

C5H6N4O

Suppliers	Catalog Number
ChemBridge	4042685
Alfa Aesar	H54351
Matrix Scientific	064431

Database	Data ID
PubChem	22147850

M. W.

138.12734

CAS

90993-49-0

Similarity

N/A

ID: 59244

pyridine-3-carbothioamide

$$$$ Data More

M. F.

C6H6N2S

Suppliers	Catalog Number
MP Biomedicals	02101140 05218760
Alfa Aesar	A11144
Matrix Scientific	064432

Database	Data ID
PubChem	737155

M. W.

138.19024

CAS

4621-66-3

Similarity

N/A

ID: 59245

pyrazine-2-carbothioamide

$$$$ Data More

M. F.

C5H5N3S

Suppliers	Catalog Number
Sigma Aldrich	730343
Alfa Aesar	H26750
Matrix Scientific	064433

Database	Data ID
PubChem	2797467

M. W.

139.1783

CAS

4604-72-2

Similarity

N/A

ID: 59246

cyclopropanecarbothioamide

$$$$ Data

M. F.

C4H7NS

Suppliers	Catalog Number
Matrix Scientific	064434
Enamine	EN300-31860

Database	Data ID
PubChem	22140884

M. W.

101.17008

CAS

20295-34-5

Similarity

N/A

ID: 59247

ethyl carbamothioylformate

$$$$ Data More

M. F.

C4H7NO2S

Suppliers	Catalog Number
Sigma Aldrich	330280
Alfa Aesar	H31447
Matrix Scientific	064435

Database	Data ID
PubChem	2733398

M. W.

133.16888

CAS

16982-21-1

Similarity

N/A

ID: 59248

(3R)-pyrrolidin-3-ol

$$$$ Data More

M. F.

C4H9NO

Suppliers	Catalog Number
Sigma Aldrich	382981 56435
Alfa Aesar	L19499
Matrix Scientific	064436

Database	Data ID
PubChem	2759337

M. W.

87.12036

CAS

83220-72-8

Similarity

N/A

ID: 59249

tert-butyl (2S)-3-hydroxy-5-oxo-2-(propan-2-yl)pyrrolidine-1-carboxylate

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Matrix Scientific	064437

Database	Data ID
PubChem	51342197

M. W.

243.29944

CAS

Similarity

N/A

ID: 59250

[4-(morpholin-4-ylmethyl)phenyl]methanimidamido benzoate

$$$$ Data

M. F.

C19H21N3O3

Suppliers	Catalog Number
Matrix Scientific	064438

Database	Data ID
PubChem	51342198

M. W.

339.38834

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified