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

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

CAS: 86999-29-3

Formula: C10H8N4

SMILES: N#CCC1=NN=C(N1)C1=CC=CC=C1

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

InChI: InChI=1S/C10H8N4/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,13,14)

Composition: C (65.21%), H (4.38%), N (30.42%)

Molar Mass: 184.202

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	184.074896274
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DDXUUSTVPHVENY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.09
Topological Polar Surface Area	65.36
Polarizability	20.05
Ring Count	2
Rotatable Bond Count	2

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