![3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine structure](/static/products/3677/36770-51-1.webp)
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
TL;DR: 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine (CAS 36770-51-1) is a chemical compound with molecular formula C12H9N5 and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
Also Known As: Topiroxostat impurity 76, Topiroxostat Impurity 102, 3-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]Pyridine, Pyridine, 3,4'-s-triazole-3,5-diyldi-, 1H-3-(3-pyridyl)-5-(4-pyridyl)-1,2,4-triazole
| Molecular Formula | C12H9N5 |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | 1.9287 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0858 |
| Heavy Atoms | 17 |
| Complexity | 549.1057 |
Chemical Identifiers
| CAS Number | 36770-51-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=N2)C3=CC=NC=C3 |
Product Overview
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine (CAS 36770-51-1), with molecular formula C12H9N5 and molecular weight 223.09 g/mol. IUPAC: 3-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
Chemical Property Profile of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
Property Insights of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
The XLogP value of 1.9287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine. Following Lipinski's Rule of Five, 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine has 1 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 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine?
The CAS number of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine is 36770-51-1.
What is the molecular formula of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine?
The molecular formula of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine is C12H9N5.
What is the molecular weight of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine?
The molecular weight of 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine is 223.09 g/mol.
Where can I buy 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine?
You can request a quote for 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-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-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.