6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione
TL;DR: 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione (CAS 23969-93-9) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 5-phenyl-6-azauracil, 6-phenyl-1,2,4-triazine-3,5(2h,4h)-dione, ChemDiv1_021916, 6-phenyl-1,2,4-triazine-3,5-diol, 6-phenyl-2H-1,2,4-triazine-3,5-dione
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 23969-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)NC2=O |
| InChIKey | QDVLVVJHFWNNJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione (CAS 23969-93-9), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 6-phenyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione
Property Insights of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione. Following Lipinski's Rule of Five, 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione 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 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione?
The CAS number of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione is 23969-93-9.
What is the molecular formula of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular formula of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione is C9H7N3O2.
What is the molecular weight of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione?
The molecular weight of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione is 189.05 g/mol.
Where can I buy 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione?
You can request a quote for 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.