N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine
TL;DR: N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine (CAS 100057-68-9) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
Also Known As: N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine, ASN 12420287, AN-465/43369206, N-[(4-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine, (4-Ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
Technical Specifications
| Molecular Formula | C11H14N4O |
| Molecular Weight | 218.11676 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.11676 Da |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
| SMILES | CCOC1=CC=C(C=C1)CNC2=NC=NN2 |
| InChIKey | OCZNLJCASDMWET-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine
Property Insights of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine?
The CAS number of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine is 100057-68-9.
What is the molecular formula of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine is C11H14N4O.
What is the molecular weight of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine is 218.11676 g/mol.
Where can I buy N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine?
Yes, CoreyChem provides custom synthesis services for N-(4-ethoxybenzyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.