4-Amino-3,5-dibenzyl-1,2,4-triazole
TL;DR: 4-Amino-3,5-dibenzyl-1,2,4-triazole (CAS 17591-59-2) is a chemical compound with molecular formula C16H16N4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibenzyl-1,2,4-triazol-4-amine
Also Known As: 4-Amino-3,5-dibenzyl-1,2,4-triazole, 3,5-Dibenzyl-4H-1,2,4-triazol-4-amine, NCIOpen2_002868, 3,5-dibenzyl-1,2,4-triazol-4-amine, 4H-1,2,4-Triazole, 4-amino-3,5-dibenzyl-
| Molecular Formula | C16H16N4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.13748 |
| Heavy Atoms | 20 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 17591-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2N)CC3=CC=CC=C3 |
| InChIKey | LEWRWCNIOPKNIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dibenzyl-1,2,4-triazole (CAS 17591-59-2), with molecular formula C16H16N4 and molecular weight 264.14 g/mol. IUPAC: 3,5-dibenzyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 4-Amino-3,5-dibenzyl-1,2,4-triazole
Property Insights of 4-Amino-3,5-dibenzyl-1,2,4-triazole
The XLogP value of 3.1 indicates that 4-Amino-3,5-dibenzyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, 4-Amino-3,5-dibenzyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dibenzyl-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 4-Amino-3,5-dibenzyl-1,2,4-triazole?
The CAS number of 4-Amino-3,5-dibenzyl-1,2,4-triazole is 17591-59-2.
What is the molecular formula of 4-Amino-3,5-dibenzyl-1,2,4-triazole?
The molecular formula of 4-Amino-3,5-dibenzyl-1,2,4-triazole is C16H16N4.
What is the molecular weight of 4-Amino-3,5-dibenzyl-1,2,4-triazole?
The molecular weight of 4-Amino-3,5-dibenzyl-1,2,4-triazole is 264.14 g/mol.
Where can I buy 4-Amino-3,5-dibenzyl-1,2,4-triazole?
You can request a quote for 4-Amino-3,5-dibenzyl-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 4-Amino-3,5-dibenzyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dibenzyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.