2-benzyl-1,2,4-triazine-3,5-dione
TL;DR: 2-benzyl-1,2,4-triazine-3,5-dione (CAS 5991-46-8) 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.
2-benzyl-1,2,4-triazine-3,5-dione
Also Known As: 2-benzyl-1,2,4-triazine-3,5-dione, 2-benzyl-1,2,4-triazine-3,5(2H,4H)-dione, 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(phenylmethyl)-, 2-Benzyl-2H-[1,2,4]triazine-3,5-dione, 2-Benzyl-2,3,4,5-tetrahydro-1,2,4-triazin-3,5-dion
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5991-46-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)NC(=O)C=N2 |
| InChIKey | ODZYNEQCDJBCAX-UHFFFAOYSA-N |
Product Overview
2-benzyl-1,2,4-triazine-3,5-dione (CAS 5991-46-8), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 2-benzyl-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 2-benzyl-1,2,4-triazine-3,5-dione
Property Insights of 2-benzyl-1,2,4-triazine-3,5-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyl-1,2,4-triazine-3,5-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzyl-1,2,4-triazine-3,5-dione. Following Lipinski's Rule of Five, 2-benzyl-1,2,4-triazine-3,5-dione has 1 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 2-benzyl-1,2,4-triazine-3,5-dione?
The CAS number of 2-benzyl-1,2,4-triazine-3,5-dione is 5991-46-8.
What is the molecular formula of 2-benzyl-1,2,4-triazine-3,5-dione?
The molecular formula of 2-benzyl-1,2,4-triazine-3,5-dione is C10H9N3O2.
What is the molecular weight of 2-benzyl-1,2,4-triazine-3,5-dione?
The molecular weight of 2-benzyl-1,2,4-triazine-3,5-dione is 203.07 g/mol.
Where can I buy 2-benzyl-1,2,4-triazine-3,5-dione?
You can request a quote for 2-benzyl-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 2-benzyl-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.