![6-benzyl-2H-[1,2,4]triazine-3,5-dione structure](/static/products/909/90946-40-0.png)
6-benzyl-2H-[1,2,4]triazine-3,5-dione
TL;DR: 6-benzyl-2H-[1,2,4]triazine-3,5-dione (CAS 90946-40-0) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-benzyl-2H-[1,2,4]triazine-3,5-dione, 6-Benzyl-1,2,4-triazine-3,5(2H,4H)-dione, 6-benzyl-2H-1,2,4-triazine-3,5-dione, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-(phenylmethyl)-, 1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzyl-
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 90946-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=O)NC2=O |
| InChIKey | GFMZRLHACQXOBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-benzyl-2H-[1,2,4]triazine-3,5-dione (CAS 90946-40-0), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 6-benzyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-benzyl-2H-[1,2,4]triazine-3,5-dione
Property Insights of 6-benzyl-2H-[1,2,4]triazine-3,5-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzyl-2H-[1,2,4]triazine-3,5-dione. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-2H-[1,2,4]triazine-3,5-dione. Following Lipinski's Rule of Five, 6-benzyl-2H-[1,2,4]triazine-3,5-dione 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 6-benzyl-2H-[1,2,4]triazine-3,5-dione?
The CAS number of 6-benzyl-2H-[1,2,4]triazine-3,5-dione is 90946-40-0.
What is the molecular formula of 6-benzyl-2H-[1,2,4]triazine-3,5-dione?
The molecular formula of 6-benzyl-2H-[1,2,4]triazine-3,5-dione is C10H9N3O2.
What is the molecular weight of 6-benzyl-2H-[1,2,4]triazine-3,5-dione?
The molecular weight of 6-benzyl-2H-[1,2,4]triazine-3,5-dione is 203.07 g/mol.
Where can I buy 6-benzyl-2H-[1,2,4]triazine-3,5-dione?
You can request a quote for 6-benzyl-2H-[1,2,4]triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-2H-[1,2,4]triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-2H-[1,2,4]triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.