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Basic information
- Standard SMILES
CC1C(=O)NCCN1c1nncc2cc(Br)ccc12- InChIKey
OVEAHFFDYFOPFO-UHFFFAOYSA-N- Molecular formula
- C13H13BrN4O
- Average molar mass
- 321.17 g/mol
- Monoisotopic mass
- 320.02727
Names & identifiers
- Preferred name
- 4-(6-Bromophthalazin-1-yl)-3-methylpiperazin-2-one
- IUPAC
- 4-(6-bromophthalazin-1-yl)-3-methylpiperazin-2-one
Names & synonyms
909187-58-24-(6-bromophthalazin-1-yl)-3-methylpiperazin-2-oneSCHEMBL2946589OVEAHFFDYFOPFO-UHFFFAOYSA-NDA-01184
Database identifiers
- PubChem CID
- 68453097
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
4 records
Compound notes
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