![ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate structure](/static/products/139/1396966-18-9.webp)
ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
TL;DR: ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate (CAS 1396966-18-9) is a chemical compound with molecular formula C8H12N4O4 and molecular weight 228.08586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate
Also Known As: BAS 00557365, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate, ethyl N-(3,5-dihydroxy-1,2,4-triazin-6-yl)alaninate, ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate, ethyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Technical Specifications
| Molecular Formula | C8H12N4O4 |
| Molecular Weight | 228.08586 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08586 Da |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
| SMILES | CCOC(=O)C(C)NC1=NNC(=O)NC1=O |
| InChIKey | JAZSDZFJRYEBSM-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
Property Insights of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
The XLogP value of -0.4 indicates that ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate. Following Lipinski's Rule of Five, ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate has 3 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 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate?
The CAS number of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate is 1396966-18-9.
What is the molecular formula of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate?
The molecular formula of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate is C8H12N4O4.
What is the molecular weight of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate?
The molecular weight of ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate is 228.08586 g/mol.
Where can I buy ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate?
You can request a quote for ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.