2-(4H-1,2,4-triazol-3-yl)acetonitrile
TL;DR: 2-(4H-1,2,4-triazol-3-yl)acetonitrile (CAS 28824-81-9) is a chemical compound with molecular formula C4H4N4 and molecular weight 108.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-yl)acetonitrile
Also Known As: 2-(4H-1,2,4-triazol-3-yl)acetonitrile, 3-cyanomethyl-s-triazole, 3-(Cyanomethyl)-4H-1,2,4-triazole, ZERO/008052, 2-(1H-1,2,4-triazol-5-yl)acetonitrile
| Molecular Formula | C4H4N4 |
|---|---|
| Molecular Weight | 108.04 g/mol |
| LogP | -0.12922 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.043594 |
| Heavy Atoms | 8 |
| Complexity | 182.30327 |
Chemical Identifiers
| CAS Number | 28824-81-9 |
|---|---|
| SMILES | C1=NNC(=N1)CC#N |
Product Overview
2-(4H-1,2,4-triazol-3-yl)acetonitrile (CAS 28824-81-9), with molecular formula C4H4N4 and molecular weight 108.04 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-yl)acetonitrile.
Chemical Property Profile of 2-(4H-1,2,4-triazol-3-yl)acetonitrile
Property Insights of 2-(4H-1,2,4-triazol-3-yl)acetonitrile
The XLogP value of -0.12922 indicates that 2-(4H-1,2,4-triazol-3-yl)acetonitrile 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 2-(4H-1,2,4-triazol-3-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(4H-1,2,4-triazol-3-yl)acetonitrile 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 2-(4H-1,2,4-triazol-3-yl)acetonitrile?
The CAS number of 2-(4H-1,2,4-triazol-3-yl)acetonitrile is 28824-81-9.
What is the molecular formula of 2-(4H-1,2,4-triazol-3-yl)acetonitrile?
The molecular formula of 2-(4H-1,2,4-triazol-3-yl)acetonitrile is C4H4N4.
What is the molecular weight of 2-(4H-1,2,4-triazol-3-yl)acetonitrile?
The molecular weight of 2-(4H-1,2,4-triazol-3-yl)acetonitrile is 108.04 g/mol.
Where can I buy 2-(4H-1,2,4-triazol-3-yl)acetonitrile?
You can request a quote for 2-(4H-1,2,4-triazol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4H-1,2,4-triazol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4H-1,2,4-triazol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.