6-[3-amino-4-[4-(2-pyrimidyl)-piperazin-1-yl]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Basic information
- Standard SMILES
CC1CC(=O)NN=C1c1ccc(N2CCN(c3ncccn3)CC2)c(N)c1- InChIKey
JHRCCEUUNULZBB-UHFFFAOYSA-N- Molecular formula
- C19H23N7O
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 6-[3-amino-4-[4-(2-pyrimidyl)-piperazin-1-yl]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone
- IUPAC
- 3-[3-amino-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
SCHEMBL7276149JHRCCEUUNULZBB-UHFFFAOYSA-N6-[3-amino-4-[4-(2-pyrimidyl)-piperazin-1-yl]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Database identifiers
- PubChem CID
- 14459502
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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