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

HCID 66599261
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIKey
CGXSPIMMMGDAPS-UHFFFAOYSA-N
Molecular formula
C19H13ClF4N4O
Average molar mass
424.8 g/mol

Names & identifiers

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

Names & synonyms

CHEMBL22185897-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazineSCHEMBL109074BDBM50110165

Database identifiers

PubChem CID
66599261
ChEMBL
CHEMBL2218589

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
51 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

Loading…