4-amino-3-phenyl-1H-1,2,4-triazol-5-one
TL;DR: 4-amino-3-phenyl-1H-1,2,4-triazol-5-one (CAS 57735-10-1) is a chemical compound with molecular formula C8H8N4O and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-phenyl-1H-1,2,4-triazol-5-one
Also Known As: 4-amino-3-phenyl-1H-1,2,4-triazol-5-one, NCI60_026360, 3H-1,2,4-Triazol-3-one, 4-amino-2,4-dihydro-5-phenyl-, 4-amino-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one, 4-amino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C8H8N4O |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06981 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 57735-10-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)N2N |
| InChIKey | OVCWQZAMXXYERB-UHFFFAOYSA-N |
Product Overview
4-amino-3-phenyl-1H-1,2,4-triazol-5-one (CAS 57735-10-1), with molecular formula C8H8N4O and molecular weight 176.07 g/mol. IUPAC: 4-amino-3-phenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one
Property Insights of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-3-phenyl-1H-1,2,4-triazol-5-one. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-phenyl-1H-1,2,4-triazol-5-one. Following Lipinski's Rule of Five, 4-amino-3-phenyl-1H-1,2,4-triazol-5-one has 2 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-phenyl-1H-1,2,4-triazol-5-one?
The CAS number of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one is 57735-10-1.
What is the molecular formula of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one?
The molecular formula of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one is C8H8N4O.
What is the molecular weight of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one?
The molecular weight of 4-amino-3-phenyl-1H-1,2,4-triazol-5-one is 176.07 g/mol.
Where can I buy 4-amino-3-phenyl-1H-1,2,4-triazol-5-one?
You can request a quote for 4-amino-3-phenyl-1H-1,2,4-triazol-5-one 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-phenyl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-3-phenyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.