3,4-Dihydro-1-methyl-6-[4-(trifluoro-methyl)phenyl]pyrrolo[1,2-a]pyrazine fumarate

HCID 19095293
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Basic information

Standard SMILES
CC1=NCCn2c1ccc2-c1ccc(C(F)(F)F)cc1.O=C(O)/C=C/C(=O)O
InChIKey
KULGOBOGRIVSEJ-WLHGVMLRSA-N
Molecular formula
C19H17F3N2O4
Average molar mass
394.3 g/mol
Monoisotopic mass
394.11404151

Names & identifiers

Preferred name
3,4-Dihydro-1-methyl-6-[4-(trifluoro-methyl)phenyl]pyrrolo[1,2-a]pyrazine fumarate
IUPAC
(E)-but-2-enedioic acid;1-methyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine

Names & synonyms

3,4-dihydro-1-methyl-6-[4-(trifluoro-methyl)phenyl]pyrrolo[1,2-a]pyrazine fumarateSCHEMBL7275382

Database identifiers

PubChem CID
19095293

Properties

Computed structural properties

Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
28

Related reactions

1 records
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Compound notes

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