4-Cyano-1H-imidazole-5-carboxamide

C₅H₄N₄OCAS 5372-23-6136.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₄O
Molar mass: 136.11 g/mol
Exact mass: 136.0385 Da
logP: -0.62Crippen estimate
Polar surface area: 95.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5372-23-6

SMILES

C1=NC(=C(N1)C(=O)N)C#N

InChIKey

QBKYWNHLILCGEI-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4O/c6-1-3-4(5(7)10)9-2-8-3/h2H,(H2,7,10)(H,8,9)

Weigh it out

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

Work with 4-Cyano-1H-imidazole-5-carboxamide

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

4-Amino-5-cyanoimidazole5098-11-347 % similar 4,5-Dicyanoimidazole1122-28-745 % similar 5-Hydroxy-1H-imidazole-4-carboxamide56973-26-342 % similar 4-Cyanobenzamide3034-34-242 % similar Dacarbazine4342-03-436 % similar 2H-1,2,4-Triazole-3-carboxamide3641-08-535 % similar 2,3-Dicyanopyrazine13481-25-934 % similar 3-Hydroxypyrazine-2-carboxamide55321-99-834 % similar

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

Same formula

Allopurinol315-30-0 1-Hydroxy-7-azabenzotriazole39968-33-7 Hypoxanthine68-94-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook