1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-
TL;DR: 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- (CAS 78831-00-2) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
Also Known As: 6-Phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one, 6-Phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-one, 6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-, hydroxy-6-phenyl-4,5-dihydro-1,2,4-triazine
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 78831-00-2 |
|---|---|
| SMILES | C1C(=NNC(=O)N1)C2=CC=CC=C2 |
| InChIKey | LWMREWHCHKZSDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- (CAS 78831-00-2), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-
Property Insights of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-. With a topological polar surface area (TPSA) of 53.5 Ų, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- 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
Frequently Asked Questions
What is the CAS number of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-?
The CAS number of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- is 78831-00-2.
What is the molecular formula of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-?
The molecular formula of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- is C9H9N3O.
What is the molecular weight of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-?
The molecular weight of 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- is 175.07 g/mol.
Where can I buy 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-?
You can request a quote for 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.