N-{[4-(benzylamino)phenyl]methyl}-1H-1,2,4-triazol-3-amine

N-{[4-(benzylamino)phenyl]methyl}-1H-1,2,4-triazol-3-amine

Formula: C16H17N5

SMILES: C(NC1=NNC=N1)C1=CC=C(NCC2=CC=CC=C2)C=C1

IUPAC: N-{[4-(benzylamino)phenyl]methyl}-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C16H17N5/c1-2-4-13(5-3-1)10-17-15-8-6-14(7-9-15)11-18-16-19-12-20-21-16/h1-9,12,17H,10-11H2,(H2,18,19,20,21)

Composition: C (68.79%), H (6.13%), N (25.07%)

Molar Mass: 279.347

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	279.148395567
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	NSIDRSJPUIECJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.48
Topological Polar Surface Area	65.63
Polarizability	31.4
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17N5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00