Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30897

Database	Data ID
PubChem	44119238

M. W.

161.20374

CAS

Similarity

N/A

ID: 87452

1-(1H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30898

Database	Data ID
PubChem	44119239

M. W.

161.20374

CAS

Similarity

N/A

ID: 87453

1-(1H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30899

Database	Data ID
PubChem	44119241

M. W.

161.20374

CAS

Similarity

N/A

ID: 87454

1-(1-methyl-1H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30900

Database	Data ID
PubChem	44119242

M. W.

175.23032

CAS

Similarity

N/A

ID: 87455

1-(1-methyl-1H-indazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30901

Database	Data ID
PubChem	44119243

M. W.

175.23032

CAS

Similarity

N/A

ID: 87456

1-(1-methyl-1H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30902

Database	Data ID
PubChem	44119244

M. W.

175.23032

CAS

Similarity

N/A

ID: 87457

1-(2-methyl-2H-indazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30903

Database	Data ID
PubChem	44119245

M. W.

175.23032

CAS

Similarity

N/A

ID: 87458

1-(2-methyl-2H-indazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30904

Database	Data ID
PubChem	44119246

M. W.

175.23032

CAS

Similarity

N/A

ID: 87459

1-(2-methyl-2H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30905

Database	Data ID
PubChem	44119247

M. W.

175.23032

CAS

Similarity

N/A

ID: 87460

1-(2-methyl-2H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30906

Database	Data ID
PubChem	44119253

M. W.

175.23032

CAS

Similarity

N/A

ID: 87461

2-(1H-indazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30907

Database	Data ID
PubChem	44119255

M. W.

161.20374

CAS

Similarity

N/A

ID: 87462

2-(1H-indazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30908

Database	Data ID
PubChem	22368136

M. W.

161.20374

CAS

Similarity

N/A

ID: 87463

2-(1H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30909

Database	Data ID
PubChem	44119256

M. W.

161.20374

CAS

Similarity

N/A

ID: 87464

2-(1H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
Apollo Scientific	OR30910

Database	Data ID
PubChem	44119257

M. W.

161.20374

CAS

Similarity

N/A

ID: 87465

2-(1-methyl-1H-indazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30911

Database	Data ID
PubChem	44119271

M. W.

175.23032

CAS

Similarity

N/A

ID: 87466

2-(1-methyl-1H-indazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30912

Database	Data ID
PubChem	44119272

M. W.

175.23032

CAS

1130309-67-9

Similarity

N/A

ID: 87467

2-(1-methyl-1H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30913

Database	Data ID
PubChem	44119273

M. W.

175.23032

CAS

Similarity

N/A

ID: 87468

2-(1-methyl-1H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30914

Database	Data ID
PubChem	44119274

M. W.

175.23032

CAS

Similarity

N/A

ID: 87469

2-(2-methyl-2H-indazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30915

Database	Data ID
PubChem	44119275

M. W.

175.23032

CAS

Similarity

N/A

ID: 87470

2-(2-methyl-2H-indazol-5-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30916

Database	Data ID
PubChem	44119276

M. W.

175.23032

CAS

Similarity

N/A

ID: 87471

2-(2-methyl-2H-indazol-6-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30917

Database	Data ID
PubChem	44119278

M. W.

175.23032

CAS

Similarity

N/A

ID: 87472

2-(2-methyl-2H-indazol-7-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30918

Database	Data ID
PubChem	44119279

M. W.

175.23032

CAS

Similarity

N/A

ID: 87473

5-bromo-2-nitrobenzonitrile

$$$$ Data

M. F.

C7H3BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR30919

Database	Data ID
PubChem	319489

M. W.

227.01492

CAS

89642-50-2

Similarity

N/A

ID: 87474

(3-bromophenyl)thiourea

$$$$ Data

M. F.

C7H7BrN2S

Suppliers	Catalog Number
Apollo Scientific	OR3092
Enamine	EN300-15008

Database	Data ID
PubChem	2735619

M. W.

231.11288

CAS

21327-14-0

Similarity

N/A

ID: 87475

3-(1H-indazol-4-yl)prop-2-enoic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30920

Database	Data ID
PubChem	55268826

M. W.

188.18272

CAS

Similarity

N/A

ID: 87476

3-(1H-indazol-5-yl)prop-2-enoic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30921

Database	Data ID
PubChem	44119285

M. W.

188.18272

CAS

Similarity

N/A

ID: 87477

3-(1H-indazol-6-yl)prop-2-enoic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30922

Database	Data ID
PubChem	44119286

M. W.

188.18272

CAS

Similarity

N/A

ID: 87478

3-(1-methyl-1H-indazol-4-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30923

Database	Data ID
PubChem	71300046

M. W.

202.2093

CAS

Similarity

N/A

ID: 87479

3-(1-methyl-1H-indazol-5-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30924

Database	Data ID
PubChem	44119288

M. W.

202.2093

CAS

Similarity

N/A

ID: 87480

3-(1-methyl-1H-indazol-6-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30925

Database	Data ID
PubChem	44119289

M. W.

202.2093

CAS

Similarity

N/A

ID: 87481

3-(2-methyl-2H-indazol-4-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30926

Database	Data ID
PubChem	44119290

M. W.

202.2093

CAS

Similarity

N/A

ID: 87482

3-(2-methyl-2H-indazol-5-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30927

Database	Data ID
PubChem	71300047

M. W.

202.2093

CAS

Similarity

N/A

ID: 87483

3-(2-methyl-2H-indazol-6-yl)prop-2-enoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30928

Database	Data ID
PubChem	44119292

M. W.

202.2093

CAS

Similarity

N/A

ID: 87484

4-bromo-3-methoxyphenol

$$$$ Data More

M. F.

C7H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	729779
Alfa Aesar	H28116
Apollo Scientific	OR30937

Database	Data ID
PubChem	347955

M. W.

203.03328

CAS

102127-34-4

Similarity

N/A

ID: 87485

7-methyl-2H-chromen-2-one

$$$$ Data

M. F.

C10H8O2

Suppliers	Catalog Number
Sigma Aldrich	220329
MP Biomedicals	05211182 02151643
Apollo Scientific	OR30939

Database	Data ID
PubChem	17131

M. W.

160.16932

CAS

2445-83-2

Similarity

N/A

ID: 87486

3,6-dimethyl-2,4-dinitroaniline

$$$$ Data

M. F.

C8H9N3O4

Suppliers	Catalog Number
Apollo Scientific	OR30940

Database	Data ID
PubChem	238702

M. W.

211.17476

CAS

6311-52-0

Similarity

N/A

ID: 87487

4-(morpholin-4-yl)pyridin-2-amine

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Apollo Scientific	OR30943

Database	Data ID
PubChem	21934537

M. W.

179.21902

CAS

722549-98-6

Similarity

N/A

ID: 87488

4-(pyrrolidin-1-yl)pyridin-2-amine

$$$$ Data

M. F.

C9H13N3

Suppliers	Catalog Number
Apollo Scientific	OR30944

Database	Data ID
PubChem	21934587

M. W.

163.21962

CAS

722550-01-8

Similarity

N/A

ID: 87489

6-bromo-2-phenylpyridin-3-amine

$$$$ Data

M. F.

C11H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR30945

Database	Data ID
PubChem	28875340

M. W.

249.10656

CAS

912772-85-1

Similarity

N/A

ID: 87490

methyl 3-amino-2-chloropyridine-4-carboxylate

$$$$ Data

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR30947
Bide Pharmatech	BD27767
A&J Pharmtech	AJA-O34745

Database	Data ID
PubChem	2762510

M. W.

186.59568

CAS

173435-41-1

Similarity

N/A

ID: 87491

2,6-dichloro-4-methylpyridin-3-amine

$$$$ Data

M. F.

C6H6Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR30949
Enamine	EN300-100860
Bide Pharmatech	BD162487

Database	Data ID
PubChem	701012

M. W.

177.03124

CAS

129432-25-3

Similarity

N/A

ID: 87492

3-bromopropane-1,2-diol

$$$$ Data

M. F.

C3H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	226130 18105
Apollo Scientific	OR3095
TRC	B686655

Database	Data ID
PubChem	20827

M. W.

154.99048

CAS

4704-77-2

Similarity

N/A

ID: 87493

3-amino-6-chloropyridine-2-carbonitrile

$$$$ Data

M. F.

C6H4ClN3

Suppliers	Catalog Number
Apollo Scientific	OR30951
A&J Pharmtech	AJA-O25792

Database	Data ID
PubChem	592750

M. W.

153.56906

CAS

95095-84-4

Similarity

N/A

ID: 87494

6-bromo-2,4-dimethylpyridin-3-amine

$$$$ Data

M. F.

C7H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR30952

Database	Data ID
PubChem	28875347

M. W.

201.06376

CAS

897733-12-9

Similarity

N/A

ID: 87495

4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-amine

$$$$ Data More

M. F.

C10H9BrN2S

Suppliers	Catalog Number
Sigma Aldrich	717851
Alfa Aesar	H58657
Apollo Scientific	OR30953

Database	Data ID
PubChem	716980

M. W.

269.16086

CAS

65705-44-4

Similarity

N/A

ID: 87496

tert-butyl 4-[2-(4-amino-1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate

$$$$ Data

M. F.

C14H25N5O2

Suppliers	Catalog Number
Apollo Scientific	OR30958

Database	Data ID
PubChem	44119294

M. W.

295.3806

CAS

Similarity

N/A

ID: 87497

2-methoxypyrimidin-5-amine

$$$$ Data

M. F.

C5H7N3O

Suppliers	Catalog Number
Apollo Scientific	OR30959
Bide Pharmatech	BD76576
A&J Pharmtech	AJA-O23989

Database	Data ID
PubChem	352904

M. W.

125.12858

CAS

56621-89-7

Similarity

N/A

ID: 87498

4-chloro-6-ethylpyrimidin-2-amine

$$$$ Data

M. F.

C6H8ClN3

Suppliers	Catalog Number
Apollo Scientific	OR30960
Bide Pharmatech	BD96107

Database	Data ID
PubChem	22324304

M. W.

157.60082

CAS

5734-67-8

Similarity

N/A

ID: 87499

2-ethyl-1,3-benzoxazol-4-amine

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR30965

Database	Data ID
PubChem	12071589

M. W.

162.1885

CAS

Similarity

N/A

ID: 87500

tert-butyl 3-amino-3-ethylpiperidine-1-carboxylate

$$$$ Data

M. F.

C12H24N2O2

Suppliers	Catalog Number
Apollo Scientific	OR30969

Database	Data ID
PubChem	44119295

M. W.

228.33116

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