chempirical

1H-Imidazole-5-carbonitrile

C4H3N3CAS 57090-88-793.09 g/mol

Open in Covalent MOL file
NNHN
Nitrile

Properties

Molecular formula
C4H3N3
Molar mass
93.09 g/mol
Exact mass
93.0327 Da
Melting point
143.5–144.5 °C
logP
0.28Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
57090-88-7
SMILES
N#Cc1c[nH]cn1
InChIKey
NWVGXXPWOYZODV-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole-4-carbonitrile
  • 4-Cyanoimidazole
  • 4-Imidazolecarbonitrile
  • 4-Cyano-1H-imidazole

Work with 1H-Imidazole-5-carbonitrile

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-cyanopyrimidine16357-69-050 % similar 2-Cyanopyridine100-70-939 % similar 4,5-Dicyanoimidazole1122-28-738 % similar Pyrazinecarbonitrile19847-12-238 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-938 % similar 4-Oxazolecarbonitrile55242-84-738 % similar 2,6-Pyridinedicarbonitrile2893-33-637 % similar 2,4-Pyridinedicarbonitrile29181-50-835 % similar

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

Elsewhere

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