1H-1,2,4-Triazole-5-carbonitrile
TL;DR: 1H-1,2,4-Triazole-5-carbonitrile (CAS 3641-10-9) is a chemical compound with molecular formula C3H2N4 and molecular weight 94.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,2,4-triazole-5-carbonitrile
Also Known As: 3-Cyano-1,2,4-Triazole, 2H-1,2,4-triazole-3-carbonitrile, 1H-1,2,4-triazole-3-carbonitrile, 1H-1,2,4-triazole-5-carbonitrile, 4H-1,2,4-triazole-3-carbonitrile
| Molecular Formula | C3H2N4 |
|---|---|
| Molecular Weight | 94.03 g/mol |
| LogP | -0.32362 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.02795 |
| Heavy Atoms | 7 |
| Complexity | 169.31502 |
Chemical Identifiers
| CAS Number | 3641-10-9 |
|---|---|
| SMILES | C1=NNC(=N1)C#N |
Product Overview
1H-1,2,4-Triazole-5-carbonitrile (CAS 3641-10-9), with molecular formula C3H2N4 and molecular weight 94.03 g/mol. IUPAC: 1H-1,2,4-triazole-5-carbonitrile.
Chemical Property Profile of 1H-1,2,4-Triazole-5-carbonitrile
Property Insights of 1H-1,2,4-Triazole-5-carbonitrile
The XLogP value of -0.32362 indicates that 1H-1,2,4-Triazole-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-5-carbonitrile. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-5-carbonitrile 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 1H-1,2,4-Triazole-5-carbonitrile?
The CAS number of 1H-1,2,4-Triazole-5-carbonitrile is 3641-10-9.
What is the molecular formula of 1H-1,2,4-Triazole-5-carbonitrile?
The molecular formula of 1H-1,2,4-Triazole-5-carbonitrile is C3H2N4.
What is the molecular weight of 1H-1,2,4-Triazole-5-carbonitrile?
The molecular weight of 1H-1,2,4-Triazole-5-carbonitrile is 94.03 g/mol.
Where can I buy 1H-1,2,4-Triazole-5-carbonitrile?
You can request a quote for 1H-1,2,4-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 1H-1,2,4-Triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.