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

HCID 66599286
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Basic information

Standard SMILES
Cc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey
QSOQITSXRIXPQK-UHFFFAOYSA-N
Molecular formula
C14H12ClF3N4O
Average molar mass
344.72 g/mol

Names & identifiers

Preferred name
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
IUPAC
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-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-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazineSCHEMBL109182CHEMBL2218661

Database identifiers

PubChem CID
66599286
ChEMBL
CHEMBL2218661

Properties

Computed structural properties

XLogP
2
Topological polar surface area
51 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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