1H,2H,3H,4H,5H-Pyrido[4,3-b]indole

C11H12N2CAS 6208-60-2172.23 g/mol

Open in Covalent MOL file
NHNH
Secondary amine

Properties

Molecular formula
C11H12N2
Molar mass
172.23 g/mol
Exact mass
172.1000 Da
logP
1.81Crippen estimate
Polar surface area
27.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6208-60-2
SMILES
C1CNCC2=C1NC3=CC=CC=C23
InChIKey
RPROHCOBMVQVIV-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2,3,4,5-Tetrahydro-1H-pyrido[4,3-B]indole

Work with 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,4-Tetrahydrocarbazole942-01-858 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-156 % similar Tacrine321-64-246 % similar Tacrine hydrochloride1684-40-843 % similar (3S)-1H,2H,3H,4H,9H-Pyrido(3,4-b)indole-3-carboxylic acid42438-90-440 % similar 1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid6052-68-240 % similar 2-Methyltryptamine2731-06-840 % similar Carbazole86-74-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-phenylpyrazole1131-16-4 1-Benzyl-2-methylimidazole13750-62-4 Tryptoline16502-01-5 2,3,6-Trimethylquinoxaline17635-21-1 1-(2-Phenylethyl)-1H-imidazole49823-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook