2,3-Dihydro-1,3-dioxo-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-5-carboxylic acid
Basic information
- CAS
186384-47-4- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ncn[nH]1)C2=O- InChIKey
YRKLDSGQWTXXJJ-UHFFFAOYSA-N- Molecular formula
- C11H6N4O4
- Average molar mass
- 258.19 g/mol
- Monoisotopic mass
- 258.03890469
Names & identifiers
- Preferred name
- 2,3-Dihydro-1,3-dioxo-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-5-carboxylic acid
- IUPAC
- 1,3-dioxo-2-(1H-1,2,4-triazol-5-yl)isoindole-5-carboxylic acid
Names & synonyms
Oprea1_583103DTXSID8011370282,3-Dihydro-1,3-dioxo-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-5-carboxylic acid186384-47-41,3-Dioxo-2-(4H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-isoindole-5-carboxylic acid
Database identifiers
- CAS
186384-47-4- PubChem CID
- 3900229
- DTXSID
DTXSID801137028
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…