chempirical

1-Cyanoimidazole

C4H3N3CAS 36289-36-893.09 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C4H3N3
Molar mass
93.09 g/mol
Exact mass
93.0327 Da
logP
0.21Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
36289-36-8
SMILES
C1=CN(C=N1)C#N
InChIKey
SLPWXZZHNSOZPX-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H

Weigh it out

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

Names and synonyms

1 names
  • N-Cyanoimidazole

Work with 1-Cyanoimidazole

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-(1H-Imidazol-1-yl)benzonitrile25372-03-635 % similar 1-Methylimidazole616-47-735 % similar 1-Phenylimidazole7164-98-933 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-332 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-632 % similar 1-Vinylimidazole1072-63-531 % similar (Trimethylsilyl)imidazole18156-74-631 % similar 1,1'-Oxalyldiimidazole18637-83-731 % similar

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

Same formula

1H-Pyrazole-4-carbonitrile31108-57-3 1H-Imidazole-5-carbonitrile57090-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook