5-(4-bromophenyl)-1H-1,2,4-triazol-3-amine

5-(4-bromophenyl)-1H-1,2,4-triazol-3-amine

CAS: 54464-13-0

Formula: C8H7BrN4

SMILES: NC1=NNC(=N1)C1=CC=C(Br)C=C1

IUPAC: 5-(4-bromophenyl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C8H7BrN4/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)

Composition: C (40.19%), H (2.95%), Br (33.42%), N (23.44%)

Molar Mass: 239.076

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	237.985409
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VXTCEROZEXTJAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.29
Topological Polar Surface Area	67.59
Polarizability	20.47
Ring Count	2
Rotatable Bond Count	1

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