4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1020252-66-7) is a chemical compound with molecular formula C9H4Cl2N4 and molecular weight 237.98131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,6-dichlorophenyl)-2H-triazole-4-carbonitrile
Also Known As: 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile, 5-(2,6-dichlorophenyl)-2H-triazole-4-carbonitrile, 5-(2,6-dichlorophenyl)-2H-1,2,3-triazole-4-carbonitrile, C9H4Cl2N4
Technical Specifications
| Molecular Formula | C9H4Cl2N4 |
| Molecular Weight | 237.98131 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.98131 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)C2=NNN=C2C#N)Cl |
| InChIKey | QXLVUZYDPDPIOA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile 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
What is the CAS number of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile is 1020252-66-7.
What is the molecular formula of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile is C9H4Cl2N4.
What is the molecular weight of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile is 237.98131 g/mol.
Where can I buy 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2,6-dichlorophenyl)-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.