![5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester structure](/static/products/1000/100003-69-8.webp)
5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester
TL;DR: 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester (CAS 100003-69-8) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-dimethyl-1,2,4-triazine-3-carboxylate
Also Known As: ethyl 5,6-dimethyl-1,2,4-triazine-3-carboxylate, 5,6-dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester, 3-(Ethoxycarbonyl)-5-methyl-6-methyl-1,2,4-triazine, 5,6-Dimethyl-[1,2,4]triazin-3-carbonsaeure-aethylester
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 100003-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=C(N=N1)C)C |
| InChIKey | MDTJEVIGLPQGBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester (CAS 100003-69-8), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: ethyl 5,6-dimethyl-1,2,4-triazine-3-carboxylate.
Chemical Property Profile of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester
Property Insights of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester 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
Frequently Asked Questions
What is the CAS number of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester?
The CAS number of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester is 100003-69-8.
What is the molecular formula of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester?
The molecular formula of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester is C8H11N3O2.
What is the molecular weight of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester?
The molecular weight of 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester is 181.09 g/mol.
Where can I buy 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester?
You can request a quote for 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethyl-[1,2,4]triazine-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.