Chembase list of 866358 unique molecular structures

ID: 71951

tert-butyl N-[2-(hydrazinecarbonyl)ethyl]carbamate

$$$$ Data

M. F.

C8H17N3O3

Suppliers	Catalog Number
ChemBridge	4045128
Matrix Scientific	077574
Enamine	EN300-66413

Database	Data ID
PubChem	50998849

M. W.

203.23888

CAS

42116-56-3

Similarity

N/A

ID: 71952

N-[(hydrazinecarbonyl)methyl]benzamide

$$$$ Data

M. F.

C9H11N3O2

Suppliers	Catalog Number
Matrix Scientific	077575

Database	Data ID
PubChem	349284

M. W.

193.20254

CAS

Similarity

N/A

ID: 71953

2-(4-nitrophenyl)-1H-imidazole hydrochloride

$$$$ Data

M. F.

C9H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	077576
Enamine	EN300-50312

Database	Data ID
PubChem	45791753

M. W.

225.63172

CAS

Similarity

N/A

ID: 71954

4-(1H-imidazol-2-yl)aniline dihydrochloride

$$$$ Data

M. F.

C9H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	077577
Enamine	EN300-60877

Database	Data ID
PubChem	47002669

M. W.

232.10974

CAS

Similarity

N/A

ID: 71955

imidazo[1,2-a]pyridine-8-carboxamide

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Matrix Scientific	077578

Database	Data ID
PubChem	19921742

M. W.

161.16068

CAS

Similarity

N/A

ID: 71956

4-(dimethoxymethyl)-5-methylpyrimidin-2-amine

$$$$ Data

M. F.

C8H13N3O2

Suppliers	Catalog Number
Matrix Scientific	077579

Database	Data ID
PubChem	56763775

M. W.

183.20772

CAS

Similarity

N/A

ID: 71957

1-(4H-1,2,4-triazol-3-ylmethyl)piperazine dihydrochloride

$$$$ Data

M. F.

C7H15Cl2N5

Suppliers	Catalog Number
Matrix Scientific	077580

Database	Data ID
PubChem	71299921

M. W.

240.1335

CAS

Similarity

N/A

ID: 71958

4-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride

$$$$ Data

M. F.

C7H14Cl2N4

Suppliers	Catalog Number
Matrix Scientific	077581

Database	Data ID
PubChem	71299989

M. W.

225.11886

CAS

Similarity

N/A

ID: 71959

2-chloro-5-hydrazinylpyridine

$$$$ Data

M. F.

C5H6ClN3

Suppliers	Catalog Number
Matrix Scientific	077582
Enamine	EN300-95382

Database	Data ID
PubChem	10855584

M. W.

143.57424

CAS

Similarity

N/A

ID: 71960

4-(1H-1,2,4-triazol-3-yl)pyridine

$$$$ Data

M. F.

C7H6N4

Suppliers	Catalog Number
ChemBridge	4035053
Matrix Scientific	077583
Enamine	EN300-101418

Database	Data ID
PubChem	203621

M. W.

146.14934

CAS

14803-99-7

Similarity

N/A

ID: 71961

3-(1H-1,2,4-triazol-3-yl)pyridine

$$$$ Data

M. F.

C7H6N4

Suppliers	Catalog Number
ChemBridge	4035412
Matrix Scientific	077584
Enamine	EN300-35971

Database	Data ID
PubChem	211469

M. W.

146.14934

CAS

23195-63-3

Similarity

N/A

ID: 71962

3-(furan-2-yl)-1H-1,2,4-triazole

$$$$ Data

M. F.

C6H5N3O

Suppliers	Catalog Number
ChemBridge	4035406
Matrix Scientific	077585

Database	Data ID
PubChem	20241737

M. W.

135.1234

CAS

Similarity

N/A

ID: 71963

5-methanesulfonyl-2-methyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C6H8N2O3S

Suppliers	Catalog Number
ChemBridge	4044305
Matrix Scientific	077586

Database	Data ID
PubChem	4078262

M. W.

188.20432

CAS

17551-48-3

Similarity

N/A

ID: 71964

1-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

$$$$ Data

M. F.

C6H5N3O

Suppliers	Catalog Number
ChemBridge	4044565
Matrix Scientific	077587

Database	Data ID
PubChem	56737778

M. W.

135.1234

CAS

Similarity

N/A

ID: 71965

1-ethyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

$$$$ Data

M. F.

C7H7N3O

Suppliers	Catalog Number
ChemBridge	4044342
Matrix Scientific	077588

Database	Data ID
PubChem	56737777

M. W.

149.14998

CAS

Similarity

N/A

ID: 71966

5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-ol dihydrochloride

$$$$ Data

M. F.

C7H14Cl2N4O2

Suppliers	Catalog Number
Matrix Scientific	077589

Database	Data ID
PubChem	71299933

M. W.

257.11766

CAS

Similarity

N/A

ID: 71967

2-chloro-N,N-diethyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C8H11ClFN3

Suppliers	Catalog Number
Matrix Scientific	077590

Database	Data ID
PubChem	43822499

M. W.

203.6444432

CAS

Similarity

N/A

ID: 71968

2-chloro-5-fluoro-4-(pyrrolidin-1-yl)pyrimidine

$$$$ Data

M. F.

C8H9ClFN3

Suppliers	Catalog Number
ChemBridge	4032053
Matrix Scientific	077591

Database	Data ID
PubChem	16762742

M. W.

201.6285632

CAS

923119-59-9

Similarity

N/A

ID: 71969

2-chloro-5-fluoro-4-(piperidin-1-yl)pyrimidine

$$$$ Data

M. F.

C9H11ClFN3

Suppliers	Catalog Number
Matrix Scientific	077592

Database	Data ID
PubChem	2338458

M. W.

215.6551432

CAS

Similarity

N/A

ID: 71970

4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine

$$$$ Data

M. F.

C8H9ClFN3O

Suppliers	Catalog Number
ChemBridge	4033378
Matrix Scientific	077593

Database	Data ID
PubChem	3121397

M. W.

217.6279632

CAS

31646-53-4

Similarity

N/A

ID: 71971

tert-butyl N-[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]carbamate

$$$$ Data

M. F.

C14H20ClFN4O2

Suppliers	Catalog Number
Matrix Scientific	077594

Database	Data ID
PubChem	56763778

M. W.

330.7856032

CAS

Similarity

N/A

ID: 71972

1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C9H14Cl3FN4

Suppliers	Catalog Number
Matrix Scientific	077595

Database	Data ID
PubChem	71299922

M. W.

303.5916632

CAS

Similarity

N/A

ID: 71973

tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C13H18ClFN4O2

Suppliers	Catalog Number
Matrix Scientific	077596

Database	Data ID
PubChem	56763780

M. W.

316.7590232

CAS

Similarity

N/A

ID: 71974

2-chloro-5-fluoro-4-(piperazin-1-yl)pyrimidine dihydrochloride

$$$$ Data

M. F.

C8H12Cl3FN4

Suppliers	Catalog Number
Matrix Scientific	077597

Database	Data ID
PubChem	71299923

M. W.

289.5650832

CAS

Similarity

N/A

ID: 71975

2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C9H12ClFN4

Suppliers	Catalog Number
Matrix Scientific	077598

Database	Data ID
PubChem	1714310

M. W.

230.6697832

CAS

Similarity

N/A

ID: 71976

1-(2-chloro-5-fluoropyrimidin-4-yl)azepane

$$$$ Data

M. F.

C10H13ClFN3

Suppliers	Catalog Number
Matrix Scientific	077599

Database	Data ID
PubChem	56763781

M. W.

229.6817232

CAS

Similarity

N/A

ID: 71977

2-chloro-5-fluoro-N-phenylpyrimidin-4-amine

$$$$ Data

M. F.

C10H7ClFN3

Suppliers	Catalog Number
Matrix Scientific	077600

Database	Data ID
PubChem	23160259

M. W.

223.6340832

CAS

Similarity

N/A

ID: 71978

2-chloro-5-fluoro-N-methylpyrimidin-4-amine

$$$$ Data

M. F.

C5H5ClFN3

Suppliers	Catalog Number
Sigma Aldrich	CBR00088
ChemBridge	4015094
Matrix Scientific	077601

Database	Data ID
PubChem	5072307

M. W.

161.5647032

CAS

67316-43-2

Similarity

N/A

ID: 71979

2-chloro-N-ethyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C6H7ClFN3

Suppliers	Catalog Number
Matrix Scientific	077602

Database	Data ID
PubChem	1712972

M. W.

175.5912832

CAS

Similarity

N/A

ID: 71980

2-chloro-5-fluoro-N-(3-methoxypropyl)pyrimidin-4-amine

$$$$ Data

M. F.

C8H11ClFN3O

Suppliers	Catalog Number
Matrix Scientific	077603

Database	Data ID
PubChem	56763782

M. W.

219.6438432

CAS

Similarity

N/A

ID: 71981

2-chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C9H11ClFN3

Suppliers	Catalog Number
Matrix Scientific	077604

Database	Data ID
PubChem	56763783

M. W.

215.6551432

CAS

Similarity

N/A

ID: 71982

2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C7H7ClFN3

Suppliers	Catalog Number
Matrix Scientific	077605

Database	Data ID
PubChem	5306794

M. W.

187.6019832

CAS

Similarity

N/A

ID: 71983

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C10H13ClFN3

Suppliers	Catalog Number
Matrix Scientific	077606

Database	Data ID
PubChem	3573094

M. W.

229.6817232

CAS

Similarity

N/A

ID: 71984

8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexae...

$$$$ Data

M. F.

C12H8O2

Suppliers	Catalog Number
Matrix Scientific	077607
InterBioScreen	BB_SC-3164

Database	Data ID
PubChem	66587

M. W.

184.19072

CAS

Similarity

N/A

ID: 71985

5-bromo-1-ethyl-1H-1,2,4-triazole

$$$$ Data

M. F.

C4H6BrN3

Suppliers	Catalog Number
ChemBridge	4043262
Matrix Scientific	077608

Database	Data ID
PubChem	590265

M. W.

176.01454

CAS

64907-55-7

Similarity

N/A

ID: 71986

5-bromo-1-(propan-2-yl)-1H-1,2,4-triazole

$$$$ Data

M. F.

C5H8BrN3

Suppliers	Catalog Number
ChemBridge	4035180
Matrix Scientific	077609

Database	Data ID
PubChem	13624271

M. W.

190.04112

CAS

Similarity

N/A

ID: 71987

1-(furan-3-yl)cyclopropan-1-amine hydrochloride

$$$$ Data

M. F.

C7H10ClNO

Suppliers	Catalog Number
Matrix Scientific	077610

Database	Data ID
PubChem	71300002

M. W.

159.6134

CAS

Similarity

N/A

ID: 71988

1-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	077611

Database	Data ID
PubChem	71299924

M. W.

210.10422

CAS

Similarity

N/A

ID: 71989

1-(pyrrolidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride

$$$$ Data

M. F.

C8H18Cl2N2

Suppliers	Catalog Number
Matrix Scientific	077612

Database	Data ID
PubChem	71299925

M. W.

213.14792

CAS

Similarity

N/A

ID: 71990

1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00666
Matrix Scientific	077613

Database	Data ID
PubChem	47000779

M. W.

227.1745

CAS

Similarity

N/A

ID: 71991

1-(morpholin-4-ylmethyl)cyclopropan-1-amine dihydrochloride

$$$$ Data

M. F.

C8H18Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	077614

Database	Data ID
PubChem	71299958

M. W.

229.14732

CAS

Similarity

N/A

ID: 71992

5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-one

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Matrix Scientific	077615

Database	Data ID
PubChem	45087665

M. W.

136.15122

CAS

Similarity

N/A

ID: 71993

2-hydroxy-6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Matrix Scientific	077616

Database	Data ID
PubChem	56763788

M. W.

207.22582

CAS

Similarity

N/A

ID: 71994

3-(carboxymethyl)-5,7-dimethyladamantane-1-carboxylic acid

$$$$ Data

M. F.

C15H22O4

Suppliers	Catalog Number
Matrix Scientific	077617

Database	Data ID
PubChem	14511601

M. W.

266.33278

CAS

Similarity

N/A

ID: 71995

3,5-bis(carboxymethyl)adamantane-1-carboxylic acid

$$$$ Data

M. F.

C15H20O6

Suppliers	Catalog Number
Matrix Scientific	077618

Database	Data ID
PubChem	56763789

M. W.

296.3157

CAS

Similarity

N/A

ID: 71996

7-hydroxybicyclo[3.3.1]nonane-3-carbohydrazide hydrochloride

$$$$ Data

M. F.

C10H19ClN2O2

Suppliers	Catalog Number
Matrix Scientific	077619

Database	Data ID
PubChem	71299926

M. W.

234.72306

CAS

Similarity

N/A

ID: 71997

4-methyl-4-azatricyclo[4.3.1.1³,⁸]undecan-5-one

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Matrix Scientific	077620

Database	Data ID
PubChem	13394850

M. W.

179.25878

CAS

Similarity

N/A

ID: 71998

2,4,5-triazatetracyclo[7.3.1.1⁷,¹¹.0²,⁶

$$$$ Data

M. F.

C11H15N3O

Suppliers	Catalog Number
Matrix Scientific	077621

Database	Data ID
PubChem	14256478

M. W.

205.2563

CAS

Similarity

N/A

ID: 71999

tricyclo[4.3.1.1³,⁸]undecan-4-one

$$$$ Data

M. F.

C11H16O

Suppliers	Catalog Number
ChemBridge	6044506
Matrix Scientific	077622

Database	Data ID
PubChem	4987444

M. W.

164.24414

CAS

24669-56-5

Similarity

N/A

ID: 72000

adamantan-1-ylhydrazine hydrochloride

$$$$ Data

M. F.

C10H19ClN2

Suppliers	Catalog Number
Matrix Scientific	077623

Database	Data ID
PubChem	12437664

M. W.

202.72426

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