2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole
TL;DR: 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole (CAS 453568-51-9) is a chemical compound with molecular formula C14H9N5 and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzonitrile
Also Known As: 2-(pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole, 2-(2-pyridyl)-5-(3-cyanophenyl)-1,3,4-triazole, 3-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzonitrile
| Molecular Formula | C14H9N5 |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 2.40538 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0858 |
| Heavy Atoms | 19 |
| Complexity | 739.78284 |
Chemical Identifiers
| CAS Number | 453568-51-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NC(=NN2)C3=CC=CC(=C3)C#N |
Product Overview
2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole (CAS 453568-51-9), with molecular formula C14H9N5 and molecular weight 247.09 g/mol. IUPAC: 3-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzonitrile.
Chemical Property Profile of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole
Property Insights of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole
The XLogP value of 2.40538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole. Following Lipinski's Rule of Five, 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole 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 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole?
The CAS number of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole is 453568-51-9.
What is the molecular formula of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole?
The molecular formula of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole is C14H9N5.
What is the molecular weight of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole?
The molecular weight of 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole is 247.09 g/mol.
Where can I buy 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole?
You can request a quote for 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-2-yl)-5-(3-cyanophenyl)-1,3,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.