3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 98554-00-8) is a chemical compound with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
Also Known As: 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine, 5-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine, ChemDiv2_005013, ZERO/005769, 5-(4-CHLORO-PHENYL)-4H-1,2,4-TRIAZOL-3-YLAMINE
| Molecular Formula | C8H7ClN4 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03592 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 98554-00-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NN2)N)Cl |
| InChIKey | ZZDNYRLLRFJEDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 98554-00-8), with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol. IUPAC: 5-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine has 2 hydrogen bond donor(s) and 3 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 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 98554-00-8.
What is the molecular formula of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is C8H7ClN4.
What is the molecular weight of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 194.04 g/mol.
Where can I buy 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.