4(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, (E)-2-butenedioate (1:1)
Basic information
- CAS
147238-35-5- Standard SMILES
Cc1cc(=O)c(OCCN(C)C)nn1-c1cccc(C(F)(F)F)c1.O=C(O)/C=C/C(=O)O- InChIKey
LRHFHEVUQKTRAJ-WLHGVMLRSA-N- Molecular formula
- C20H22F3N3O6
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.14606992
Names & identifiers
- Preferred name
- 4(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Names & synonyms
147238-35-54(1H)-Pyridazinone, 3-(2-(dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, (E)-2-butenedioate (1:1)RefChem:10690623-(2-(Dimethylamino)ethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinone fumarate
Database identifiers
- CAS
147238-35-5- PubChem CID
- 6448745
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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