![5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine structure](/static/products/4504/450400-08-5.webp)
5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
TL;DR: 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine (CAS 450400-08-5) 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.
5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Also Known As: 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine, 5-(3-chlorobenzyl)-2H-1,2,4-triazol-3-amine
| Molecular Formula | C9H9ClN4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.6311 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.05157 |
| Heavy Atoms | 14 |
| Complexity | 437.88193 |
Chemical Identifiers
| CAS Number | 450400-08-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CC2=NC(=NN2)N |
Product Overview
5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine (CAS 450400-08-5), with molecular formula C9H9ClN4 and molecular weight 208.05 g/mol. IUPAC: 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Property Insights of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
The XLogP value of 1.6311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-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 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine?
The CAS number of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine is 450400-08-5.
What is the molecular formula of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine?
The molecular formula of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine is C9H9ClN4.
What is the molecular weight of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine?
The molecular weight of 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine is 208.05 g/mol.
Where can I buy 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine?
You can request a quote for 5-[(3-chlorophenyl)methyl]-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 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.