Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate
TL;DR: Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate (CAS 126421-91-8) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-phenyl-1,2,4-triazine-3-carboxylate
Also Known As: ethyl 5-phenyl-1,2,4-triazine-3-carboxylate, 3-(Ethoxycarbonyl)-5-phenyl-1,2,4-triazine, A-03-14, 1,2,4-Triazine-3-carboxylic acid, 5-phenyl-, ethyl ester, 5-phenyl-[1,2,4]triazine-3-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.08513 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CCOC(=O)C1=NC(=CN=N1)C2=CC=CC=C2 |
| InChIKey | HACDQHWPWBOTLR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate
Property Insights of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate?
The CAS number of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate is 126421-91-8.
What is the molecular formula of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate?
The molecular formula of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate is C12H11N3O2.
What is the molecular weight of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate?
The molecular weight of Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate is 229.08513 g/mol.
Where can I buy Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate?
You can request a quote for Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-phenyl-1,2,4-triazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.