1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)
Basic information
- CAS
135257-89-5- Standard SMILES
O=c1[nH]nc([O-])n1-c1ccccc1- InChIKey
GOSUFRDROXZXLN-UHFFFAOYSA-M- Molecular formula
- C8H6N3O2-
- Average molar mass
- 176.15 g/mol
- Monoisotopic mass
- 176.04600144
Names & identifiers
- Preferred name
- 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)
- IUPAC
- 5-oxo-4-phenyl-1H-1,2,4-triazol-3-olate
Names & synonyms
135257-89-51,2,4-Triazolidine-3,5-dione, 4-phenyl-, ion(1-)DTXSID309289255-Hydroxy-4-phenyl-4H-1,2,4-triazol-3-olate
Database identifiers
- CAS
135257-89-5- PubChem CID
- 178242
- DTXSID
DTXSID30928925
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 246
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…