Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
TL;DR: Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate (CAS 127720-99-4) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-6-oxo-1-phenyl-1,2,4-triazine-3-carboxylate
Also Known As: Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate, ChemDiv2_001723, ethyl 5-amino-6-oxo-1-phenyl-1,2,4-triazine-3-carboxylate, J2.027.697E, 1,2,4-Triazine-3-carboxylic acid, 5-amino-1,6-dihydro-6-oxo-1-phenyl-, ethyl ester
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 127720-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C(=N1)N)C2=CC=CC=C2 |
| InChIKey | ONJVQULAOHSFPB-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate (CAS 127720-99-4), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: ethyl 5-amino-6-oxo-1-phenyl-1,2,4-triazine-3-carboxylate.
Chemical Property Profile of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
Property Insights of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate?
The CAS number of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate is 127720-99-4.
What is the molecular formula of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate?
The molecular formula of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate is C12H12N4O3.
What is the molecular weight of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate?
The molecular weight of Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate is 260.09 g/mol.
Where can I buy Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate?
You can request a quote for Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.