chempirical

5-Azabenzimidazole

C6H5N3CAS 272-97-9119.13 g/mol

Open in Covalent MOL file
NNHN

Properties

Molecular formula
C6H5N3
Molar mass
119.13 g/mol
Exact mass
119.0483 Da
logP
0.96Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
272-97-9
SMILES
C1=CN=CC2=C1N=CN2
InChIKey
UBOOKRVGOBKDMM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H,(H,8,9)

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Names and synonyms

1 names
  • 1H-Imidazo(4,5-c)pyridine

Work with 5-Azabenzimidazole

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

Benzimidazole51-17-252 % similar 5-Chlorobenzimidazole4887-82-544 % similar 6-Bromo-1H-benzimidazole4887-88-144 % similar 5-Methylbenzimidazole614-97-144 % similar 5-Aminobenzimidazole934-22-544 % similar 1H-Pyrrolo[2,3-c]pyridine271-29-443 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-240 % similar 5-Methoxybenzimidazole4887-80-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-3-cyanopyridine24517-64-4 1H-Pyrazolo[3,4-c]pyridine271-47-6 1H-Pyrazolo[4,3-C]pyridine271-52-3 1H-Pyrazolo(3,4-b)pyridine271-73-8 Pyrrolopyrimidine272-50-4 1H-Pyrazolo(4,3-b)pyridine272-52-6 Imidazo[4,5-b]pyridine273-21-2 Pyrazolopyrimidine274-71-5

Elsewhere

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