N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
TL;DR: N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine (CAS 16691-46-6) is a chemical compound with molecular formula C8H8ClN5 and molecular weight 209.04683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-N-(4-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
Also Known As: chlorophenyltriazolediamine, Maybridge3_000614, N3-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine, N~3~-(4-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine, JS-158C
Technical Specifications
| Molecular Formula | C8H8ClN5 |
| Molecular Weight | 209.04683 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.04683 Da |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
| SMILES | C1=CC(=CC=C1NC2=NNC(=N2)N)Cl |
| InChIKey | UPTMGVAONDEFRT-UHFFFAOYSA-N |
Chemical Property Profile of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
Property Insights of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine has 3 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 N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The CAS number of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine is 16691-46-6.
What is the molecular formula of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine is C8H8ClN5.
What is the molecular weight of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine is 209.04683 g/mol.
Where can I buy N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine?
Yes, CoreyChem provides custom synthesis services for N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.