1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)
TL;DR: 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) (CAS 135257-89-5) is a chemical compound with molecular formula C8H6N3O2- and molecular weight 176.046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-4-phenyl-1H-1,2,4-triazol-3-olate
Also Known As: 5-oxo-4-phenyl-1H-1,2,4-triazol-3-olate, 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-), 5-Hydroxy-4-phenyl-4H-1,2,4-triazol-3-olate
Technical Specifications
| Molecular Formula | C8H6N3O2- |
| Molecular Weight | 176.046 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.046 Da |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)NN=C2[O-] |
| InChIKey | GOSUFRDROXZXLN-UHFFFAOYSA-M |
Chemical Property Profile of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)
Property Insights of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-). The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-). Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) 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
What is the CAS number of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)?
The CAS number of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) is 135257-89-5.
What is the molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)?
The molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) is C8H6N3O2-.
What is the molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)?
The molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) is 176.046 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)?
You can request a quote for 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.