chempirical

1-Methyl-1H-imidazole-4-carbonitrile

C5H5N3CAS 66121-69-5107.12 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C5H5N3
Molar mass
107.12 g/mol
Exact mass
107.0483 Da
logP
0.29Crippen 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
66121-69-5
SMILES
CN1C=C(N=C1)C#N
InChIKey
LAKVILSENFFPRR-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3

Weigh it out

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Work with 1-Methyl-1H-imidazole-4-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-Bromo-1-methyl-1H-imidazole25676-75-943 % similar 4-Iodo-1-methyl-1H-imidazole71759-87-043 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-839 % similar (1-Methyl-1H-imidazol-4-yl)methanamine486414-83-939 % similar 1-Methyl-1H-imidazol-4-amine hydrochloride89088-69-739 % similar 1-Methyl-1H-imidazole-4,5-dicarbonitrile19485-35-938 % similar 1-Methyl-1H-imidazole-4-sulfonyl chloride137049-00-436 % similar 1-Methyl-4-nitroimidazole3034-41-136 % similar

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

Same formula

4(5)-Cyanomethylimidazole18502-05-1

Elsewhere

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