3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 80980-09-2) is a chemical compound with molecular formula C13H10N4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
Also Known As: 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine, 3- pyridine, 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine, 3-Bromo-4-methyl-1H-indazole, 2585AC
| Molecular Formula | C13H10N4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09055 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 80980-09-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)C3=CN=CC=C3 |
| InChIKey | LYJGTNPLWZSTJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 80980-09-2), with molecular formula C13H10N4 and molecular weight 222.09 g/mol. IUPAC: 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine.
Chemical Property Profile of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine. With a topological polar surface area (TPSA) of 54.5 Ų, 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine 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 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine is 80980-09-2.
What is the molecular formula of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine is C13H10N4.
What is the molecular weight of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine is 222.09 g/mol.
Where can I buy 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.