![2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one structure](/static/products/876/876713-52-9.png)
2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
TL;DR: 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one (CAS 876713-52-9) is a chemical compound with molecular formula C13H12ClN5O and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 09867301, 2-((2-chlorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(2-Chloro-benzylamino)-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, 2-[(2-chlorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C13H12ClN5O |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 1.99152 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.07303 |
| Heavy Atoms | 20 |
| Complexity | 822.98474 |
Chemical Identifiers
| CAS Number | 876713-52-9 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=CC=C3Cl |
Product Overview
2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one (CAS 876713-52-9), with molecular formula C13H12ClN5O and molecular weight 289.07 g/mol. IUPAC: 2-[(2-chlorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Property Insights of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
The XLogP value of 1.99152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The CAS number of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is 876713-52-9.
What is the molecular formula of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The molecular formula of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is C13H12ClN5O.
What is the molecular weight of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The molecular weight of 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is 289.07 g/mol.
Where can I buy 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
You can request a quote for 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.