N-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-1H-1,2,4-triazol-3-amine

N-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-1H-1,2,4-triazol-3-amine

Formula: C16H16ClN5O2

SMILES: COC1=CC(CNC2=NNC=N2)=CC=C1OCC1=CC=C(Cl)N=C1

IUPAC: N-({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C16H16ClN5O2/c1-23-14-6-11(7-19-16-20-10-21-22-16)2-4-13(14)24-9-12-3-5-15(17)18-8-12/h2-6,8,10H,7,9H2,1H3,(H2,19,20,21,22)

Composition: C (55.58%), H (4.66%), Cl (10.25%), N (20.25%), O (9.25%)

Molar Mass: 345.79

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	345.0992525
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LQCGERZWPORADJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.92
Topological Polar Surface Area	84.95
Polarizability	34.52
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16ClN5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00