1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone
TL;DR: 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone (CAS 1023521-91-6) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone
Also Known As: 1-(3-amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone, 1-(3-AMINO(1,2,4-TRIAZOLYL))-2-(2,3-DIMETHYLPHENOXY)ETHAN-1-ONE, 1-(3-amino-1H-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethan-1-one
Technical Specifications
| Molecular Formula | C12H14N4O2 |
| Molecular Weight | 246.11168 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.11168 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CC1=C(C(=CC=C1)OCC(=O)N2C=NC(=N2)N)C |
| InChIKey | ZLNMHPYUYJBTGA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone
Property Insights of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The CAS number of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone is 1023521-91-6.
What is the molecular formula of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The molecular formula of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone is C12H14N4O2.
What is the molecular weight of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
The molecular weight of 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone is 246.11168 g/mol.
Where can I buy 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
You can request a quote for 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3-Amino-1,2,4-triazol-1-yl)-2-(2,3-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.