4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
TL;DR: 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 916-68-7) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid
Also Known As: 4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid, 4-methyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid, 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-as-triazin-6-carbonsaeure
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 916-68-7 |
|---|---|
| SMILES | CN1C(=O)C(=NNC1=O)C(=O)O |
| InChIKey | GCWRUKSNUGAAII-UHFFFAOYSA-N |
Product Overview
4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 916-68-7), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 4-methyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
Property Insights of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
The XLogP value of -0.2 indicates that 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid. Following Lipinski's Rule of Five, 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid has 2 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 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The CAS number of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 916-68-7.
What is the molecular formula of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular formula of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is C5H5N3O4.
What is the molecular weight of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular weight of 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 171.03 g/mol.
Where can I buy 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
You can request a quote for 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.