Basic information
- Standard SMILES
c1ccc(C(OC2CCN(CCCCNc3ccc4nncn4n3)CC2)c2ccccc2)cc1- InChIKey
VPJWDMCKSJWQSU-UHFFFAOYSA-N- Molecular formula
- C27H32N6O
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.26375967
Names & identifiers
- Preferred name
- 6-[4-[4-(Diphenylmethoxy)piperidino]butylamino][1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- N-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Names & synonyms
CHEMBL5191979SCHEMBL7233388VPJWDMCKSJWQSU-UHFFFAOYSA-NBDBM505942576-[4-[4-(Diphenylmethoxy)piperidino]butylamino][1,2,4]triazolo[4,3-b]pyridazine
Database identifiers
- PubChem CID
- 15524151
- ChEMBL
CHEMBL5191979
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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