N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
TL;DR: N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine (CAS 37627-92-2) is a chemical compound with molecular formula C8H8ClN5 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
Also Known As: N3-(3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine, 3-N-(3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine, N-(3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine, N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine, J2.013.767C
| Molecular Formula | C8H8ClN5 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.7839 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.04683 |
| Heavy Atoms | 14 |
| Complexity | 438.8016 |
Chemical Identifiers
| CAS Number | 37627-92-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2=NNC(=N2)N |
Product Overview
N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine (CAS 37627-92-2), with molecular formula C8H8ClN5 and molecular weight 209.05 g/mol. IUPAC: 3-N-(3-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
Property Insights of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
The XLogP value of 1.7839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N3-(3-chlorophenyl)-4H-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
Frequently Asked Questions
What is the CAS number of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine?
The CAS number of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine is 37627-92-2.
What is the molecular formula of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine?
The molecular formula of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine is C8H8ClN5.
What is the molecular weight of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine?
The molecular weight of N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine is 209.05 g/mol.
Where can I buy N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine?
You can request a quote for N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.