![2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one structure](/static/products/128/128626-90-4.webp)
2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
TL;DR: 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one (CAS 128626-90-4) is a chemical compound with molecular formula C13H12ClN5O and molecular weight 289.07303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-(benzylamino)-6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(benzylamino)-6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, 8-(benzylamino)-3-chloro-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one
Technical Specifications
| Molecular Formula | C13H12ClN5O |
| Molecular Weight | 289.07303 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.07303 Da |
| Heavy Atoms | 20 |
| Complexity | 519.0 |
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=CC=C3)Cl |
| InChIKey | NLFOWOTUEQNLJE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Property Insights of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one. Following Lipinski's Rule of Five, 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The CAS number of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is 128626-90-4.
What is the molecular formula of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The molecular formula of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is C13H12ClN5O.
What is the molecular weight of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
The molecular weight of 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one is 289.07303 g/mol.
Where can I buy 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
You can request a quote for 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(benzylamino)-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one?
Yes, CoreyChem provides custom synthesis services for 2-(benzylamino)-6-chloro-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.