![2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile structure](/static/products/4000/400086-49-9.webp)
2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile
TL;DR: 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile (CAS 400086-49-9) is a chemical compound with molecular formula C11H7N5 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano(1,2,4-triazol-1-yl)methyl]benzonitrile
Also Known As: 2-[cyano(1,2,4-triazol-1-yl)methyl]benzonitrile, 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile, 7G-031, 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzonitrile
| Molecular Formula | C11H7N5 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.26276 |
| Topological Polar Surface Area | 78.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.07014 |
| Heavy Atoms | 16 |
| Complexity | 558.80115 |
Chemical Identifiers
| CAS Number | 400086-49-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C(C#N)N2C=NC=N2 |
Product Overview
2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile (CAS 400086-49-9), with molecular formula C11H7N5 and molecular weight 209.07 g/mol. IUPAC: 2-[cyano(1,2,4-triazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile
Property Insights of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile
The XLogP value of 1.26276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile. The TPSA of 78.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile. Following Lipinski's Rule of Five, 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile 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 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile?
The CAS number of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile is 400086-49-9.
What is the molecular formula of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile?
The molecular formula of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile is C11H7N5.
What is the molecular weight of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile?
The molecular weight of 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile is 209.07 g/mol.
Where can I buy 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile?
You can request a quote for 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[cyano(1H-1,2,4-triazol-1-yl)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.