5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one
TL;DR: 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one (CAS 13163-00-3) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
Also Known As: 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one, J1.429.039G, 5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazin-3-one, 5,6-Diphenyl-4,5-dihydro-1,2,4-triazine-3(2H)-one, 5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-one
Technical Specifications
| Molecular Formula | C15H13N3O |
| Molecular Weight | 251.10587 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| SMILES | C1=CC=C(C=C1)C2C(=NNC(=O)N2)C3=CC=CC=C3 |
| InChIKey | UEPGCKJMAZQWBF-UHFFFAOYSA-N |
Chemical Property Profile of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one
Property Insights of 5,6-Diphenyl-4,5-dihydro-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-4,5-dihydro-1,2,4-triazin-3(2H)-one. With a topological polar surface area (TPSA) of 53.5 Ų, 5,6-Diphenyl-4,5-dihydro-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-4,5-dihydro-1,2,4-triazin-3(2H)-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The CAS number of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one is 13163-00-3.
What is the molecular formula of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The molecular formula of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one is C15H13N3O.
What is the molecular weight of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one?
The molecular weight of 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one is 251.10587 g/mol.
Where can I buy 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one?
You can request a quote for 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.