Basic information
- Standard SMILES
c1ccc(C(c2ccccc2)N2CCN(CCCOc3ccc4nncn4n3)CC2)cc1- InChIKey
VJWMTKLYOMOVLC-UHFFFAOYSA-N- Molecular formula
- C25H28N6O
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23245954
Names & identifiers
- Preferred name
- 6-[3-[4-(Diphenylmethyl)-1-piperazinyl]propoxy][1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-[3-(4-benzhydrylpiperazin-1-yl)propoxy]-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
SCHEMBL7235144VJWMTKLYOMOVLC-UHFFFAOYSA-N6-[3-[4-(Diphenylmethyl)-1-piperazinyl]propoxy][1,2,4]triazolo[4,3-b]pyridazine
Database identifiers
- PubChem CID
- 15524147
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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