N-[(4-aminophenyl)methyl]-1H-1,2,4-triazol-3-amine

N-[(4-aminophenyl)methyl]-1H-1,2,4-triazol-3-amine

CAS: 724446-82-6

Formula: C9H11N5

SMILES: NC1=CC=C(CNC2=NNC=N2)C=C1

IUPAC: N-[(4-aminophenyl)methyl]-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C9H11N5/c10-8-3-1-7(2-4-8)5-11-9-12-6-13-14-9/h1-4,6H,5,10H2,(H2,11,12,13,14)

Composition: C (57.13%), H (5.86%), N (37.01%)

Molar Mass: 189.222

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	189.101445374
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HNOASONLPZZNMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.37
Topological Polar Surface Area	79.62
Polarizability	19.96
Ring Count	2
Rotatable Bond Count	3

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