N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
TL;DR: N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 18442-88-1) 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.
N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
Also Known As: N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine, (4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)amine, 1H-1,2,4-Triazol-5-amine, N-(4-chlorophenyl)-
| Molecular Formula | C8H7ClN4 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.2017 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03592 |
| Heavy Atoms | 13 |
| Complexity | 367.55237 |
Chemical Identifiers
| CAS Number | 18442-88-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC=NN2)Cl |
Product Overview
N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine (CAS 18442-88-1), with molecular formula C8H7ClN4 and molecular weight 194.04 g/mol. IUPAC: N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
Property Insights of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 2.2017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine. With a topological polar surface area (TPSA) of 53.6 Ų, N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(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 N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The CAS number of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 18442-88-1.
What is the molecular formula of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is C8H7ClN4.
What is the molecular weight of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine is 194.04 g/mol.
Where can I buy N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for N-(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 N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.