Basic information
- Standard SMILES
Cc1ccccc1CN1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1- InChIKey
ZBPOVHQTCNUVBY-UHFFFAOYSA-N- Molecular formula
- C19H21F3N6
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- 6-[4-[(2-Methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
6-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2266215
Database identifiers
- PubChem CID
- 67340643
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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