Basic information
- Standard SMILES
C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1- InChIKey
BMZMIWQLBBEGFW-LBPRGKRZSA-N- Molecular formula
- C19H18F3N5
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- (S)-4-(3-methylpiperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazine
- IUPAC
- 4-[(3S)-3-methylpiperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
Names & synonyms
(S)-4-(3-methylpiperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazineSCHEMBL3695499
Database identifiers
- PubChem CID
- 57657602
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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