Basic information
- CAS
330646-48-5- Standard SMILES
NNC(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1- InChIKey
IQHAVBIQMYJJSX-UHFFFAOYSA-N- Molecular formula
- C9H8N4O3
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.05964013
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1,4-dioxo-6-phthalazinecarboxylic acid hydrazide
- IUPAC
- 1,4-dioxo-2,3-dihydrophthalazine-6-carbohydrazide
Names & synonyms
6-???-2,3-dihydrophthalazine-1,4-dioneTimTec1_001394Oprea1_236772SCHEMBL15798297DTXSID801160982HMS1537P081,2,3,4-Tetrahydro-1,4-dioxo-6-phthalazinecarboxylic acid hydrazideAKOS003333638330646-48-5ST0187111,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carbohydrazide
Database identifiers
- CAS
330646-48-5- PubChem CID
- 670482
- DTXSID
DTXSID801160982
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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