1-Methyl-3-phenyl-1,2,4-triazin-5-one
TL;DR: 1-Methyl-3-phenyl-1,2,4-triazin-5-one (CAS 113342-81-7) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-phenyl-1,2,4-triazin-1-ium-5-olate
Also Known As: MPTO, 1-Methyl-3-phenyl-1,2,4-triazin-5-one, 1-methyl-3-phenyl-1,2,4-triazin-1-ium-5-olate, 1-Methyl-3-phenyl-1,2-4-triazinium-5-olate, 1-methyl-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
Technical Specifications
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.07455 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.07455 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | C[N+]1=NC(=NC(=C1)[O-])C2=CC=CC=C2 |
| InChIKey | DVDYICDUKVJRHA-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-3-phenyl-1,2,4-triazin-5-one
Property Insights of 1-Methyl-3-phenyl-1,2,4-triazin-5-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-phenyl-1,2,4-triazin-5-one. With a topological polar surface area (TPSA) of 52.7 Ų, 1-Methyl-3-phenyl-1,2,4-triazin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenyl-1,2,4-triazin-5-one has 0 hydrogen bond donor(s) and 3 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-Methyl-3-phenyl-1,2,4-triazin-5-one?
The CAS number of 1-Methyl-3-phenyl-1,2,4-triazin-5-one is 113342-81-7.
What is the molecular formula of 1-Methyl-3-phenyl-1,2,4-triazin-5-one?
The molecular formula of 1-Methyl-3-phenyl-1,2,4-triazin-5-one is C10H9N3O.
What is the molecular weight of 1-Methyl-3-phenyl-1,2,4-triazin-5-one?
The molecular weight of 1-Methyl-3-phenyl-1,2,4-triazin-5-one is 187.07455 g/mol.
Where can I buy 1-Methyl-3-phenyl-1,2,4-triazin-5-one?
You can request a quote for 1-Methyl-3-phenyl-1,2,4-triazin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-3-phenyl-1,2,4-triazin-5-one?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-3-phenyl-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.