1,4,5,7-Tetramethyl-6-(4-trifluoromethoxy-phenyl)-6H-pyrrolo[3,4-d]pyridazine

HCID 10246327
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Basic information

Standard SMILES
Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12
InChIKey
KRKQHHWJLHBWKP-UHFFFAOYSA-N
Molecular formula
C17H16F3N3O
Average molar mass
335.32 g/mol
Monoisotopic mass
335.12454663

Names & identifiers

Preferred name
1,4,5,7-Tetramethyl-6-(4-trifluoromethoxy-phenyl)-6H-pyrrolo[3,4-d]pyridazine
IUPAC
1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine

Names & synonyms

1,4,5,7-Tetramethyl-6-(4-trifluoromethoxy-phenyl)-6H-pyrrolo[3,4-d]pyridazineSCHEMBL50046001,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]-6H-pyrrolo[3,4-d]pyridazine

Database identifiers

PubChem CID
10246327

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

Related reactions

2 records
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Compound notes

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