54463-89-7 | 5-(2-Chlorophenyl)-4h-1,2,4-triazol-3-amine

Packsize	Purity	Availability	Price	Discounted Price
100mg	96%	in stock	$124.00	$87.00
1g	95%	in stock	$125.00	$87.00
5g	95%	in stock	$455.00	$318.00

Description

• Catalog Number: AG23188
• Chemical Name: 5-(2-Chlorophenyl)-4h-1,2,4-triazol-3-amine
• CAS Number: 54463-89-7
• Molecular Formula: C8H7ClN4
• Molecular Weight: 194.6210
• MDL Number: MFCD00475875
• SMILES: Clc1ccccc1c1nnc([nH]1)N

Computed Properties

• Complexity: 178
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.9

Literature

• One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

  Journal of medicinal chemistry 20090723