5-(4-bromophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(4-bromophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Formula: C18H18BrN5O

SMILES: COC1=CC=CC(=C1)C1CC(NC2=NC(N)=NN12)C1=CC=C(Br)C=C1

IUPAC: 5-(4-bromophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

InChI: InChI=1/C18H18BrN5O/c1-25-14-4-2-3-12(9-14)16-10-15(11-5-7-13(19)8-6-11)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)

Composition: C (54.01%), H (4.53%), Br (19.96%), N (17.50%), O (4.00%)

Molar Mass: 400.28

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	399.069473
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WMHZLQOQRYZEQL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114
Topological Polar Surface Area	77.99
Polarizability	37.7
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18BrN5O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00