2,4-diamino-6-(cyanomethyl)pyridine-3,5-dicarbonitrile

2,4-diamino-6-(cyanomethyl)pyridine-3,5-dicarbonitrile

CAS: 24571-64-0

Formula: C9H6N6

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

IUPAC: 2,4-diamino-6-(cyanomethyl)pyridine-3,5-dicarbonitrile

InChI: InChI=1S/C9H6N6/c10-2-1-7-5(3-11)8(13)6(4-12)9(14)15-7/h1H2,(H4,13,14,15)

Composition: C (54.54%), H (3.05%), N (42.40%)

Molar Mass: 198.189

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.065394217
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	JCCGNPGPAUIBFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.97
Topological Polar Surface Area	136.3
Polarizability	18.95
Ring Count	1
Rotatable Bond Count	1

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