Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H8ClNO

Suppliers	Catalog Number
Enamine	EN300-110492

Database	Data ID
PubChem	606400

M. W.

193.62962

CAS

Similarity

N/A

ID: 239602

3-bromo-4,5-diethoxybenzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50617
Enamine	EN300-110493

Database	Data ID
PubChem	4122990

M. W.

270.12248

CAS

514856-13-4

Similarity

N/A

ID: 239603

ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

$$$$ Data

M. F.

C13H12ClNO3

Suppliers	Catalog Number
Alfa Aesar	H50515
Enamine	EN300-110495

Database	Data ID
PubChem	304558

M. W.

265.69228

CAS

22931-71-1

Similarity

N/A

ID: 239604

imidazo[1,2-a]pyridin-2-ylmethanamine hydrochloride

$$$$ Data

M. F.

C8H10ClN3

Suppliers	Catalog Number
Enamine	EN300-110496

Database	Data ID
PubChem	44120854

M. W.

183.6381

CAS

Similarity

N/A

ID: 239605

4-bromo-2-(hydroxymethyl)-6-methoxyphenol

$$$$ Data

M. F.

C8H9BrO3

Suppliers	Catalog Number
Alfa Aesar	H50569
Enamine	EN300-110497

Database	Data ID
PubChem	894092

M. W.

233.05926

CAS

35090-64-3

Similarity

N/A

ID: 239606

3-(cyclopentyloxy)-N'-hydroxy-4-methoxybenzene-1-carboximidamide

$$$$ Data

M. F.

C13H18N2O3

Suppliers	Catalog Number
Enamine	EN300-110498

Database	Data ID
PubChem	5716101

M. W.

250.29362

CAS

Similarity

N/A

ID: 239607

N'-hydroxy-2,3-dihydro-1,4-benzodioxine-2-carboximidamide

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
Enamine	EN300-110499

Database	Data ID
PubChem	5715875

M. W.

194.1873

CAS

Similarity

N/A

ID: 239608

5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C11H7N3O2S

Suppliers	Catalog Number
Enamine	EN300-11050

Database	Data ID
PubChem	6093551

M. W.

245.25718

CAS

Similarity

N/A

ID: 239609

4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N'-hydroxybenzene-1-carboximid...

$$$$ Data

M. F.

C13H9ClF3N3O2

Suppliers	Catalog Number
Enamine	EN300-110500

Database	Data ID
PubChem	9580891

M. W.

331.6776696

CAS

Similarity

N/A

ID: 239610

1-(2-hydrazinylethyl)piperazine

$$$$ Data

M. F.

C6H16N4

Suppliers	Catalog Number
Enamine	EN300-110501

Database	Data ID
PubChem	46741256

M. W.

144.21804

CAS

Similarity

N/A

ID: 239611

3-(hydrazinylmethyl)quinoline dihydrochloride

$$$$ Data

M. F.

C10H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-110502

Database	Data ID
PubChem	71756440

M. W.

246.13632

CAS

Similarity

N/A

ID: 239612

{[4-(methylsulfanyl)phenyl]methyl}hydrazine

$$$$ Data

M. F.

C8H12N2S

Suppliers	Catalog Number
Enamine	EN300-110503

Database	Data ID
PubChem	28084492

M. W.

168.25928

CAS

Similarity

N/A

ID: 239613

N'-hydroxy-1-methyl-1H-indole-3-carboximidamide

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-110504

Database	Data ID
PubChem	14773934

M. W.

189.21384

CAS

Similarity

N/A

ID: 239614

2-(4-fluorophenoxy)-N'-hydroxyethanimidamide

$$$$ Data

M. F.

C8H9FN2O2

Suppliers	Catalog Number
Enamine	EN300-110506

Database	Data ID
PubChem	24707103

M. W.

184.1676632

CAS

Similarity

N/A

ID: 239615

{[3-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride

$$$$ Data

M. F.

C8H10ClF3N2

Suppliers	Catalog Number
Enamine	EN300-110507

Database	Data ID
PubChem	71756441

M. W.

226.6266096

CAS

Similarity

N/A

ID: 239616

1-[(3,4-dichlorophenyl)methyl]guanidine; sulfuric acid

$$$$ Data

M. F.

C8H11Cl2N3O4S

Suppliers	Catalog Number
Enamine	EN300-110508

Database	Data ID
PubChem	71756442

M. W.

316.16164

CAS

Similarity

N/A

ID: 239617

4-(2-hydroxyethyl)piperazine-1-carboximidamide; sulfuric acid

$$$$ Data

M. F.

C7H18N4O5S

Suppliers	Catalog Number
Enamine	EN300-110509

Database	Data ID
PubChem	15564584

M. W.

270.30662

CAS

Similarity

N/A

ID: 239618

4-[4-(methylsulfanyl)phenyl]-4-oxobutanoic acid

$$$$ Data

M. F.

C11H12O3S

Suppliers	Catalog Number
Enamine	EN300-11051

Database	Data ID
PubChem	2063715

M. W.

224.27618

CAS

7028-67-3

Similarity

N/A

ID: 239619

2-(2-chloro-6-fluorophenyl)ethanimidamide hydrochloride

$$$$ Data

M. F.

C8H9Cl2FN2

Suppliers	Catalog Number
Enamine	EN300-110510

Database	Data ID
PubChem	22358192

M. W.

223.0748632

CAS

Similarity

N/A

ID: 239620

2-(3-fluoro-4-methoxyphenyl)ethanimidamide

$$$$ Data

M. F.

C9H11FN2O

Suppliers	Catalog Number
Enamine	EN300-110511

Database	Data ID
PubChem	4180462

M. W.

182.1948432

CAS

Similarity

N/A

ID: 239621

1-[(3-methoxyphenyl)methyl]guanidine; sulfuric acid

$$$$ Data

M. F.

C9H15N3O5S

Suppliers	Catalog Number
Enamine	EN300-110512

Database	Data ID
PubChem	71756443

M. W.

277.2975

CAS

Similarity

N/A

ID: 239622

[(3-fluorophenyl)methyl]hydrazine hydrochloride

$$$$ Data

M. F.

C7H10ClFN2

Suppliers	Catalog Number
Enamine	EN300-110513

Database	Data ID
PubChem	71756444

M. W.

176.6191032

CAS

Similarity

N/A

ID: 239623

4-(3-hydrazinylpropyl)morpholine dihydrochloride

$$$$ Data

M. F.

C7H19Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-110514

Database	Data ID
PubChem	71756445

M. W.

232.15126

CAS

Similarity

N/A

ID: 239624

2-(4-methoxyphenoxy)ethanimidamide hydrochloride

$$$$ Data

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
Enamine	EN300-110515

Database	Data ID
PubChem	13430821

M. W.

216.66472

CAS

Similarity

N/A

ID: 239625

2-(2-hydrazinylethyl)pyridine dihydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Enamine	EN300-110516

Database	Data ID
PubChem	204818

M. W.

210.10422

CAS

Similarity

N/A

ID: 239626

4-(1H-pyrazol-1-yl)aniline hydrochloride

$$$$ Data

M. F.

C9H10ClN3

Suppliers	Catalog Number
Enamine	EN300-110520
A&J Pharmtech	AJA-O30189

Database	Data ID
PubChem	53408027

M. W.

195.6488

CAS

913848-94-9

Similarity

N/A

ID: 239627

4-amino-2-methylpyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C6H7N3O2

Suppliers	Catalog Number
Enamine	EN300-110523

Database	Data ID
PubChem	345536

M. W.

153.13868

CAS

Similarity

N/A

ID: 239628

thiophen-3-ylmethanamine hydrochloride

$$$$ Data

M. F.

C5H8ClNS

Suppliers	Catalog Number
Enamine	EN300-110525
Bide Pharmatech	BD27249
A&J Pharmtech	AJA-O34683

Database	Data ID
PubChem	16956077

M. W.

149.64172

CAS

115132-84-8

Similarity

N/A

ID: 239629

4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)butanoic acid

$$$$ Data

M. F.

C11H14N4O4

Suppliers	Catalog Number
Enamine	EN300-11053

Database	Data ID
PubChem	104071

M. W.

266.25326

CAS

52083-48-4

Similarity

N/A

ID: 239630

4-hydrazinyl-7-methoxyquinoline

$$$$ Data

M. F.

C10H11N3O

Suppliers	Catalog Number
Enamine	EN300-110531

Database	Data ID
PubChem	493227

M. W.

189.21384

CAS

Similarity

N/A

ID: 239631

2-(2,6-dimethylmorpholin-4-yl)ethan-1-ol hydrochloride

$$$$ Data

M. F.

C8H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-110532

Database	Data ID
PubChem	71756446

M. W.

195.68702

CAS

Similarity

N/A

ID: 239632

4-hydrazinyl-7-methylquinoline

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Enamine	EN300-110536

Database	Data ID
PubChem	12443533

M. W.

173.21444

CAS

Similarity

N/A

ID: 239633

5-(phenylformamido)pentanoic acid

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Enamine	EN300-110538

Database	Data ID
PubChem	225176

M. W.

221.2524

CAS

Similarity

N/A

ID: 239634

5-(5-formylfuran-2-yl)furan-2-carbaldehyde

$$$$ Data

M. F.

C10H6O4

Suppliers	Catalog Number
Enamine	EN300-110541

Database	Data ID
PubChem	605367

M. W.

190.15224

CAS

Similarity

N/A

ID: 239635

4-(furan-2-ylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H13N3OS

Suppliers	Catalog Number
Enamine	EN300-110545

Database	Data ID
PubChem	16637026

M. W.

271.33752

CAS

Similarity

N/A

ID: 239636

4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H15N3OS

Suppliers	Catalog Number
Enamine	EN300-110546

Database	Data ID
PubChem	831581

M. W.

297.3748

CAS

Similarity

N/A

ID: 239637

2-{2,2-dioxo-2λ⁶-thia-3-azatricyclo[6.3.1.0⁴,¹...

$$$$ Data

M. F.

C12H9NO4S

Suppliers	Catalog Number
Enamine	EN300-11055

Database	Data ID
PubChem	4770316

M. W.

263.26916

CAS

Similarity

N/A

ID: 239638

5-(2-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H15N3S

Suppliers	Catalog Number
Enamine	EN300-110550

Database	Data ID
PubChem	8054615

M. W.

281.3754

CAS

Similarity

N/A

ID: 239639

4-(4-chlorophenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H12ClN3S

Suppliers	Catalog Number
Enamine	EN300-110551

Database	Data ID
PubChem	6502092

M. W.

301.79388

CAS

Similarity

N/A

ID: 239640

4-(4-ethoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C17H17N3OS

Suppliers	Catalog Number
Enamine	EN300-110552

Database	Data ID
PubChem	16637027

M. W.

311.40138

CAS

Similarity

N/A

ID: 239641

3-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C14H10ClN3S

Suppliers	Catalog Number
Enamine	EN300-110555

Database	Data ID
PubChem	726096

M. W.

287.7673

CAS

Similarity

N/A

ID: 239642

5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H10ClN3OS

Suppliers	Catalog Number
Enamine	EN300-110556

Database	Data ID
PubChem	969833

M. W.

291.756

CAS

Similarity

N/A

ID: 239643

3-(3-chlorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C9H8ClN3S

Suppliers	Catalog Number
Enamine	EN300-110557

Database	Data ID
PubChem	873461

M. W.

225.69792

CAS

Similarity

N/A

ID: 239644

2-{2,2-dioxo-2λ⁶-thia-3-azatricyclo[6.3.1.0⁴,¹...

$$$$ Data

M. F.

C12H11N3O3S

Suppliers	Catalog Number
Enamine	EN300-11056

Database	Data ID
PubChem	2512763

M. W.

277.29904

CAS

Similarity

N/A

ID: 239645

5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H10ClN3OS

Suppliers	Catalog Number
Enamine	EN300-110560

Database	Data ID
PubChem	16637028

M. W.

291.756

CAS

Similarity

N/A

ID: 239646

5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H12ClN3S

Suppliers	Catalog Number
Enamine	EN300-110561

Database	Data ID
PubChem	16637029

M. W.

301.79388

CAS

Similarity

N/A

ID: 239647

5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C17H17N3O2S

Suppliers	Catalog Number
Enamine	EN300-110562

Database	Data ID
PubChem	764326

M. W.

327.40078

CAS

Similarity

N/A

ID: 239648

3-(3,4-dimethoxyphenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thion...

$$$$ Data

M. F.

C18H19N3O3S

Suppliers	Catalog Number
Enamine	EN300-110563

Database	Data ID
PubChem	1298835

M. W.

357.42676

CAS

Similarity

N/A

ID: 239649

4-ethyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C13H17N3O3S

Suppliers	Catalog Number
Enamine	EN300-110564

Database	Data ID
PubChem	661205

M. W.

295.35738

CAS

Similarity

N/A

ID: 239650

4-phenyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C17H17N3O3S

Suppliers	Catalog Number
Enamine	EN300-110566

Database	Data ID
PubChem	716384

M. W.

343.40018

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