5-(4-bromophenyl)-7-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-7-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

Formula: C19H19BrN4O

SMILES: CCOC1=CC=C(C=C1)C1CC(NC2=NC=NN12)C1=CC=C(Br)C=C1

IUPAC: 5-(4-bromophenyl)-7-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1/C19H19BrN4O/c1-2-25-16-9-5-14(6-10-16)18-11-17(13-3-7-15(20)8-4-13)23-19-21-12-22-24(18)19/h3-10,12,17-18H,2,11H2,1H3,(H,21,22,23)

Composition: C (57.15%), H (4.80%), Br (20.01%), N (14.03%), O (4.01%)

Molar Mass: 399.292

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	398.074224
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MRCAEFRQWYSUSR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.1
Topological Polar Surface Area	51.97
Polarizability	38.37
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19BrN4O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00