4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 884504-69-2) 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.
5-pyridin-3-yl-2H-triazole-4-carbonitrile
Also Known As: 4-(3-Pyridyl)-1H-1,2,3-Triazole-5-Carbonitrile, 4-(pyridin-3-yl)-1H-1,2,3-triazole-5-carbonitrile, 5-pyridin-3-yl-2H-triazole-4-carbonitrile, 4-(3-pyridinyl)-1H-1,2,3-triazole-5-carbonitrile, 5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonitrile
| Molecular Formula | C8H5N5 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.73838 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05449 |
| Heavy Atoms | 13 |
| Complexity | 439.05798 |
Chemical Identifiers
| CAS Number | 884504-69-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNN=C2C#N |
Product Overview
4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 884504-69-2), with molecular formula C8H5N5 and molecular weight 171.05 g/mol. IUPAC: 5-pyridin-3-yl-2H-triazole-4-carbonitrile.
Chemical Property Profile of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 0.73838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile 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 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile is 884504-69-2.
What is the molecular formula of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile is C8H5N5.
What is the molecular weight of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile is 171.05 g/mol.
Where can I buy 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Pyridinyl)-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.