![2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile structure](/static/products/890/890094-75-4.png)
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
TL;DR: 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile (CAS 890094-75-4) is a chemical compound with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
Also Known As: ZERO/008382, 3-Acetonitrile-5-(3-chlorophenyl)-4H-1,2,4-triazole, 2-(5-(3-Chlorophenyl)-4H-1,2,4-triazol-3-yl)acetonitrile, 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile, [5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetonitrile
| Molecular Formula | C10H7ClN4 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.19118 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.03592 |
| Heavy Atoms | 15 |
| Complexity | 512.1361 |
Chemical Identifiers
| CAS Number | 890094-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=N2)CC#N |
Product Overview
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile (CAS 890094-75-4), with molecular formula C10H7ClN4 and molecular weight 218.04 g/mol. IUPAC: 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile.
Chemical Property Profile of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
Property Insights of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile
The XLogP value of 2.19118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-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-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The CAS number of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile is 890094-75-4.
What is the molecular formula of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The molecular formula of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile is C10H7ClN4.
What is the molecular weight of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile?
The molecular weight of 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile is 218.04 g/mol.
Where can I buy 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile?
You can request a quote for 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-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-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.