5-(4-cyanophenyl)-2H-triazole-4-carbonitrile
TL;DR: 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile (CAS 1119392-20-9) is a chemical compound with molecular formula C10H5N5 and molecular weight 195.05449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-cyanophenyl)-2H-triazole-4-carbonitrile
Also Known As: 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile, 4-(4-cyanophenyl)-1H-1,2,3-triazole-5-carbonitrile, 4-(4-nitrilophenyl)-1H-1,2,3-triazole-5-carbonitrile, 5-(4-Cyanophenyl)-2H-1,2,3-triazole-4-carbonitrile, C10H5N5
Technical Specifications
| Molecular Formula | C10H5N5 |
| Molecular Weight | 195.05449 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05449 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=NNN=C2C#N |
| InChIKey | XTZLVVBXKVLEEA-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile
Property Insights of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile?
The CAS number of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile is 1119392-20-9.
What is the molecular formula of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile?
The molecular formula of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile is C10H5N5.
What is the molecular weight of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile?
The molecular weight of 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile is 195.05449 g/mol.
Where can I buy 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile?
You can request a quote for 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(4-cyanophenyl)-2H-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.