![4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole structure](/static/products/3554/35546-42-0.webp)
4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole
TL;DR: 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole (CAS 35546-42-0) is a chemical compound with molecular formula C10H7N5 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,4-triazol-4-yliminomethyl)benzonitrile
Also Known As: 4-(1,2,4-triazol-4-yliminomethyl)benzonitrile, 4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenecarbonitrile, 4-[(1,2,4-triazol-4-ylimino)methyl]benzonitrile, 4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}benzonitrile, 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole
| Molecular Formula | C10H7N5 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.03198 |
| Topological Polar Surface Area | 66.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.07014 |
| Heavy Atoms | 15 |
| Complexity | 489.60907 |
Chemical Identifiers
| CAS Number | 35546-42-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NN2C=NN=C2)C#N |
Product Overview
4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole (CAS 35546-42-0), with molecular formula C10H7N5 and molecular weight 197.07 g/mol. IUPAC: 4-(1,2,4-triazol-4-yliminomethyl)benzonitrile.
Chemical Property Profile of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole
Property Insights of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole
The XLogP value of 1.03198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole. The TPSA of 66.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole 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 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole?
The CAS number of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole is 35546-42-0.
What is the molecular formula of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole?
The molecular formula of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole is C10H7N5.
What is the molecular weight of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole?
The molecular weight of 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole is 197.07 g/mol.
Where can I buy 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole?
You can request a quote for 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-cyanobenzylidene)amino]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.