Basic information
- Standard SMILES
CN1CCN(C)C(c2ccc(Nc3nc(Br)cn(C)c3=O)cc2)C1=O- InChIKey
ORRGNBHSDMOWDY-UHFFFAOYSA-N- Molecular formula
- C17H20BrN5O2
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-3-(4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenylamino)-1-methylpyrazin-2(1H)-one
- IUPAC
- 5-bromo-3-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-1-methylpyrazin-2-one
Names & synonyms
SCHEMBL1205490ORRGNBHSDMOWDY-UHFFFAOYSA-NDB-2130325-Bromo-3-(4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenylamino)-1-methylpyrazin-2(1H)-one5-Bromo-3-[[4-(1,4-dimethyl-3-oxo-2-piperazinyl)phenyl]amino]-1-methyl-2(1h)-pyrazinone1133433-96-1
Database identifiers
- PubChem CID
- 57625129
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 612
Related reactions
11 records
Compound notes
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