1-Methyl-1H-imidazole-4,5-dicarbonitrile

C₆H₄N₄CAS 19485-35-9132.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₄
Molar mass: 132.13 g/mol
Exact mass: 132.0436 Da
logP: 0.16Crippen estimate
Polar surface area: 65.4 Å²
H-bond donors / acceptors: 0 / 3
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

19485-35-9

SMILES

CN1C=NC(=C1C#N)C#N

InChIKey

SUOVGHDPXJUFME-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3

Weigh it out

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Work with 1-Methyl-1H-imidazole-4,5-dicarbonitrile

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-Methylbenzimidazole1632-83-339 % similar 1-Methylpyrrole-2-carbonitrile34884-10-139 % similar 2,3-Dicyanopyrazine13481-25-939 % similar 1-Methyl-1H-imidazole-4-carbonitrile66121-69-538 % similar 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carbonitrile114601-31-938 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-637 % similar Pyridine-2,3-dicarbonitrile17132-78-435 % similar 3-Bromopyridine-2-carbonitrile55758-02-634 % similar

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

Same formula

2-Amino-1-propene-1,1,3-tricarbonitrile868-54-2

Elsewhere

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