5,6-diphenyl-1,2,4-triazin-3(2H)-one
TL;DR: 5,6-diphenyl-1,2,4-triazin-3(2H)-one (CAS 4512-00-9) is a chemical compound with molecular formula C15H11N3O and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diphenyl-2H-1,2,4-triazin-3-one
Also Known As: 5,6-Diphenyl-1,2,4-triazin-3(2H)-one, 5,6-diphenyl-1,2,4-triazin-3-ol, diphenyl-1,2,4-triazin-3-ol, as-TRIAZIN-3-OL, 5,6-DIPHENYL-, 3-Hydroxy-5,6-diphenyl-1,2,4-triazine
| Molecular Formula | C15H11N3O |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09021 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
| Solubility | 18.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4512-00-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3 |
| InChIKey | VTOJJDGNQGCRLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-diphenyl-1,2,4-triazin-3(2H)-one (CAS 4512-00-9), with molecular formula C15H11N3O and molecular weight 249.09 g/mol. IUPAC: 5,6-diphenyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5,6-diphenyl-1,2,4-triazin-3(2H)-one
Property Insights of 5,6-diphenyl-1,2,4-triazin-3(2H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-diphenyl-1,2,4-triazin-3(2H)-one. With a topological polar surface area (TPSA) of 53.8 Ų, 5,6-diphenyl-1,2,4-triazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-diphenyl-1,2,4-triazin-3(2H)-one has 1 hydrogen bond donor(s) and 2 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 5,6-diphenyl-1,2,4-triazin-3(2H)-one?
The CAS number of 5,6-diphenyl-1,2,4-triazin-3(2H)-one is 4512-00-9.
What is the molecular formula of 5,6-diphenyl-1,2,4-triazin-3(2H)-one?
The molecular formula of 5,6-diphenyl-1,2,4-triazin-3(2H)-one is C15H11N3O.
What is the molecular weight of 5,6-diphenyl-1,2,4-triazin-3(2H)-one?
The molecular weight of 5,6-diphenyl-1,2,4-triazin-3(2H)-one is 249.09 g/mol.
Where can I buy 5,6-diphenyl-1,2,4-triazin-3(2H)-one?
You can request a quote for 5,6-diphenyl-1,2,4-triazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-diphenyl-1,2,4-triazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-diphenyl-1,2,4-triazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.