1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
TL;DR: 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 3357-35-5) is a chemical compound with molecular formula C10H10N4O and molecular weight 202.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone
Also Known As: 1-acetyl-3-phenyl-1H-1,2,4-triazol-5-ylamine, 1-acetyl-3-phenyl-5-amino-1,2,4-triazole, VU0047654-1, 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one, 1-acetyl-3-phenyl-1H-1,2,4-triazol-5-amine
| Molecular Formula | C10H10N4O |
|---|---|
| Molecular Weight | 202.09 g/mol |
| LogP | 1.1874 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.08546 |
| Heavy Atoms | 15 |
| Complexity | 489.37842 |
Chemical Identifiers
| CAS Number | 3357-35-5 |
|---|---|
| SMILES | CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)N |
Product Overview
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 3357-35-5), with molecular formula C10H10N4O and molecular weight 202.09 g/mol. IUPAC: 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Property Insights of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
The XLogP value of 1.1874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one has 1 hydrogen bond donor(s) and 4 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-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one?
The CAS number of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one is 3357-35-5.
What is the molecular formula of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular formula of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one is C10H10N4O.
What is the molecular weight of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular weight of 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one is 202.09 g/mol.
Where can I buy 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one?
You can request a quote for 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.