1-(4-Aminobenzyl)-1,2,4-triazole
TL;DR: 1-(4-Aminobenzyl)-1,2,4-triazole (CAS 52739-51-2) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,4-triazol-1-ylmethyl)aniline
Also Known As: 4-(1H-1,2,4-triazol-1-ylmethyl)aniline, 4-((1H-1,2,4-triazol-1-yl)methyl)aniline, 1-(4-Aminobenzyl)-1,2,4-triazole, 4-(1,2,4-Triazol-1-ylmethyl)aniline, Rizatriptan Impurity 11
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.9086 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 363.02304 |
Chemical Identifiers
| CAS Number | 52739-51-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC=N2)N |
Product Overview
1-(4-Aminobenzyl)-1,2,4-triazole (CAS 52739-51-2), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 4-(1,2,4-triazol-1-ylmethyl)aniline.
Chemical Property Profile of 1-(4-Aminobenzyl)-1,2,4-triazole
Property Insights of 1-(4-Aminobenzyl)-1,2,4-triazole
The XLogP value of 0.9086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Aminobenzyl)-1,2,4-triazole. With a topological polar surface area (TPSA) of 56.73 Ų, 1-(4-Aminobenzyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminobenzyl)-1,2,4-triazole 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-Aminobenzyl)-1,2,4-triazole?
The CAS number of 1-(4-Aminobenzyl)-1,2,4-triazole is 52739-51-2.
What is the molecular formula of 1-(4-Aminobenzyl)-1,2,4-triazole?
The molecular formula of 1-(4-Aminobenzyl)-1,2,4-triazole is C9H10N4.
What is the molecular weight of 1-(4-Aminobenzyl)-1,2,4-triazole?
The molecular weight of 1-(4-Aminobenzyl)-1,2,4-triazole is 174.09 g/mol.
Where can I buy 1-(4-Aminobenzyl)-1,2,4-triazole?
You can request a quote for 1-(4-Aminobenzyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminobenzyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminobenzyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.