Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate (CAS 74136-99-5) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate
Also Known As: ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate, ethyl 2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate, 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid, 1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-methyl-3,5-dioxo-, ethyl ester
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 74136-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)NC1=O)C |
| InChIKey | UXJCYARDTPINPQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate (CAS 74136-99-5), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: ethyl 2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
The XLogP value of -0.1 indicates that Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is 74136-99-5.
What is the molecular formula of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is C7H9N3O4.
What is the molecular weight of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate is 199.06 g/mol.
Where can I buy Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.