7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(2,4-difluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HCID 71459862
NotesReactions
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Basic information

Standard SMILES
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1
InChIKey
KJYPXKJCSRFKKY-UHFFFAOYSA-N
Molecular formula
C19H12ClF5N4O
Average molar mass
442.8 g/mol

Names & identifiers

Preferred name
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(2,4-difluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
IUPAC
[2-chloro-3-(trifluoromethyl)phenyl]-[3-(2,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

Names & synonyms

7-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(2,4-difluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazineSCHEMBL106881CHEMBL2218692

Database identifiers

PubChem CID
71459862
ChEMBL
CHEMBL2218692

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
30

Related reactions

1 records
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Compound notes

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