6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
TL;DR: 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile (CAS 400075-27-6) is a chemical compound with molecular formula C8H5N5 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile
Also Known As: 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile, 6-(1H-1,2,4-triazol-1-yl)nicotinonitrile, 6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile, 11F-320S, F8880-4297
| Molecular Formula | C8H5N5 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.53398 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05449 |
| Heavy Atoms | 13 |
| Complexity | 422.55798 |
Chemical Identifiers
| CAS Number | 400075-27-6 |
|---|---|
| SMILES | C1=CC(=NC=C1C#N)N2C=NC=N2 |
Product Overview
6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile (CAS 400075-27-6), with molecular formula C8H5N5 and molecular weight 171.05 g/mol. IUPAC: 6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
Property Insights of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
The XLogP value of 0.53398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile has 0 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 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The CAS number of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile is 400075-27-6.
What is the molecular formula of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The molecular formula of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile is C8H5N5.
What is the molecular weight of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The molecular weight of 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile is 171.05 g/mol.
Where can I buy 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
You can request a quote for 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.