1,4-Phthalazinedione, 6-amino-
Basic information
- CAS
87781-78-0- Standard SMILES
Nc1ccc2c(c1)C(=O)N=NC2=O- InChIKey
KEMXZUFXVNATEV-UHFFFAOYSA-N- Molecular formula
- C8H5N3O2
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.03817641
Names & identifiers
- Preferred name
- 1,4-Phthalazinedione, 6-amino-
- IUPAC
- 6-aminophthalazine-1,4-dione
Names & synonyms
87781-78-01,4-Phthalazinedione, 6-amino-DTXSID70332188RefChem:221056DTXCID702832826-aminophthalazine-1,4-dioneSCHEMBL2970333APZ
Database identifiers
- CAS
87781-78-0- PubChem CID
- 445390
- DTXSID
DTXSID70332188
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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