1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 80714-26-7) is a chemical compound with molecular formula C7H5ClN4O and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-one
Also Known As: Bionet2_001507, 1-(6-Chloro-2-Pyridinyl)-1H-1,2,4-Triazol-3-Ol, 1-(6-Chloropyridin-2-yl)-1H-1,2,4-triazol-3-ol, 2-(6-chloropyridin-2-yl)-1H-1,2,4-triazol-5-one, 1-(6-Chloro-2-pyridyl)-1H-3-hydroxy-1,2,4-triazole
| Molecular Formula | C7H5ClN4O |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 0.609 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01518 |
| Heavy Atoms | 13 |
| Complexity | 475.09482 |
Chemical Identifiers
| CAS Number | 80714-26-7 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Cl)N2C=NC(=O)N2 |
Product Overview
1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one (CAS 80714-26-7), with molecular formula C7H5ClN4O and molecular weight 196.02 g/mol. IUPAC: 2-(6-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 0.609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one has 1 hydrogen bond donor(s) and 3 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 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one is 80714-26-7.
What is the molecular formula of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one is C7H5ClN4O.
What is the molecular weight of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one is 196.02 g/mol.
Where can I buy 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloropyridin-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.