1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
TL;DR: 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- (CAS 52236-30-3) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2H-1,2,4-triazine-3,5-dione
Also Known As: Metribuzin DADK, metribuzin TP2, Metribuzin metabolite, DADK, Deaminodiketometribuzin
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 52236-30-3 |
|---|---|
| SMILES | CC(C)(C)C1=NNC(=O)NC1=O |
| InChIKey | ZARIFGFXSIZTAK-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- (CAS 52236-30-3), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: 6-tert-butyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
Property Insights of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- has 2 hydrogen bond donor(s) and 3 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 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-?
The CAS number of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- is 52236-30-3.
What is the molecular formula of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-?
The molecular formula of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- is C7H11N3O2.
What is the molecular weight of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-?
The molecular weight of 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- is 169.09 g/mol.
Where can I buy 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-?
You can request a quote for 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.