Basic information
- CAS
135283-77-1- Standard SMILES
Cn1nc([O-])n(-c2ccccc2)c1=O- InChIKey
RJNRHWZMHWQLBU-UHFFFAOYSA-M- Molecular formula
- C9H8N3O2-
- Average molar mass
- 190.18 g/mol
- Monoisotopic mass
- 190.06165151
Names & identifiers
- Preferred name
- 1,2,4-Triazolidine-3,5-dione, 1-methyl-4-phenyl-, ion(1-)
- IUPAC
- 1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-olate
Names & synonyms
135283-77-11,2,4-Triazolidine-3,5-dione, 1-methyl-4-phenyl-, ion(1-)DTXSID301592971-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-olate
Database identifiers
- CAS
135283-77-1- PubChem CID
- 178248
- DTXSID
DTXSID30159297
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…