2-(5-methyl-4H-1,2,4-triazol-3-yl)acetonitrile

2-(5-methyl-4H-1,2,4-triazol-3-yl)acetonitrile

CAS: 86999-26-0

Formula: C5H6N4

SMILES: CC1=NN=C(CC#N)N1

IUPAC: 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetonitrile

InChI: InChI=1S/C5H6N4/c1-4-7-5(2-3-6)9-8-4/h2H2,1H3,(H,7,8,9)

Composition: C (49.17%), H (4.95%), N (45.88%)

Molar Mass: 122.131

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	122.059246209
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JPJXXDXAJJOQOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.43
Topological Polar Surface Area	65.36
Polarizability	11.6
Ring Count	1
Rotatable Bond Count	1

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