3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine
TL;DR: 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine (CAS 5599-99-5) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine
Also Known As: 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine, 3-(3-benzyl-1H-1,2,4-triazol-5-yl)pyridine, 3-benzyl-5-(3-pyridyl)-1H-1,2,4-triazole, AT-057/42344766, RefChem:381567
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.4575 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 616.56116 |
Chemical Identifiers
| CAS Number | 5599-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=NN2)C3=CN=CC=C3 |
Product Overview
3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine (CAS 5599-99-5), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine.
Chemical Property Profile of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine
Property Insights of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 2.4575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine. With a topological polar surface area (TPSA) of 54.46 Ų, 3-(5-benzyl-1H-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-benzyl-1H-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-benzyl-1H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine is 5599-99-5.
What is the molecular formula of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine is C14H12N4.
What is the molecular weight of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine is 236.11 g/mol.
Where can I buy 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 3-(5-benzyl-1H-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-benzyl-1H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.