1H-imidazole-4,5-dicarbonitrile

1H-imidazole-4,5-dicarbonitrile

CAS: 1122-28-7

Formula: C5H2N4

SMILES: N#CC1=C(N=CN1)C#N

IUPAC: 1H-imidazole-4,5-dicarbonitrile

InChI: InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)

Composition: C (50.85%), H (1.71%), N (47.44%)

Molar Mass: 118.099

Atom Count: 11

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	118.02794608
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XGDRLCRGKUCBQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.96
Topological Polar Surface Area	76.26
Polarizability	10.87
Ring Count	1
Rotatable Bond Count	0

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