Imidazol-1-yl-acetonitrile

C₅H₅N₃CAS 98873-55-3107.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅N₃
Molar mass: 107.12 g/mol
Exact mass: 107.0483 Da
logP: 0.41Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 0 / 2
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

98873-55-3

SMILES

C1=CN(C=N1)CC#N

InChIKey

ZPGCVVBPGQJSPX-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2

Weigh it out

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

Names and synonyms

1 names

(1-Imidazolyl)acetonitrile

Work with Imidazol-1-yl-acetonitrile

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

1-Propylimidazole35203-44-248 % similar 1-Ethylimidazole7098-07-946 % similar 1-Benzylimidazole4238-71-544 % similar Imidazole-1-ethanol1615-14-143 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-543 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-542 % similar 1-Allylimidazole31410-01-242 % similar 1-Cyanoimidazole36289-36-841 % similar

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

Same formula

4(5)-Cyanomethylimidazole18502-05-1 1-Methyl-1H-imidazole-4-carbonitrile66121-69-5

Elsewhere

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