1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine
TL;DR: 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS 147159-33-9) is a chemical compound with molecular formula C9H9ClN4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-amine
Also Known As: 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine, 1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine, 1-(4-Chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine, 1-[(4-CHLOROPHENYL)METHYL]-1,2,4-TRIAZOL-3-AMINE, 1-(4-Chloro-benzyl)-1 H -[1,2,4]triazol-3-ylamine
| Molecular Formula | C9H9ClN4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.562 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.05157 |
| Heavy Atoms | 14 |
| Complexity | 420.63193 |
Chemical Identifiers
| CAS Number | 147159-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC(=N2)N)Cl |
Product Overview
1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS 147159-33-9), with molecular formula C9H9ClN4 and molecular weight 208.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-amine.
Chemical Property Profile of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine
Property Insights of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 1.562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine 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
Frequently Asked Questions
What is the CAS number of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine?
The CAS number of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine is 147159-33-9.
What is the molecular formula of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine is C9H9ClN4.
What is the molecular weight of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine is 208.05 g/mol.
Where can I buy 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.