N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

CAS: 477851-94-8

Formula: C8H6Cl2N4

SMILES: ClC1=CC(Cl)=C(NC2=NNC=N2)C=C1

IUPAC: N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C8H6Cl2N4/c9-5-1-2-7(6(10)3-5)13-8-11-4-12-14-8/h1-4H,(H2,11,12,13,14)

Composition: C (41.95%), H (2.64%), Cl (30.95%), N (24.46%)

Molar Mass: 229.06

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	227.9969516
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MMBZIKRWEQGQBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.96
Topological Polar Surface Area	53.6
Polarizability	20.81
Ring Count	2
Rotatable Bond Count	2

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