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

C6H4N4CAS 19485-35-9132.13 g/mol

Open in Covalent MOL file
NNNN
Nitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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-Methylpyridine-2-carbonitrile20970-75-637 % 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

PubChem CAS Common Chemistry NIST WebBook