2-amino-1H-imidazole-4,5-dicarbonitrile

2-amino-1H-imidazole-4,5-dicarbonitrile

CAS: 40953-34-2

Formula: C5H3N5

SMILES: NC1=NC(C#N)=C(N1)C#N

IUPAC: 2-amino-1H-imidazole-4,5-dicarbonitrile

InChI: InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)

Composition: C (45.12%), H (2.27%), N (52.61%)

Molar Mass: 133.114

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	133.038845117
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MLOXIXGLIZLPDP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.14
Topological Polar Surface Area	102.28
Polarizability	12.04
Ring Count	1
Rotatable Bond Count	0

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