7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

HCID 66599296
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(F)c2Cl)C3)n1
InChIKey
ZEMQRZUEOSQLAI-UHFFFAOYSA-N
Molecular formula
C16H12Cl2FN5OS
Average molar mass
412.3 g/mol
Monoisotopic mass
411.0123647

Names & identifiers

Preferred name
7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
IUPAC
(2,4-dichloro-3-fluorophenyl)-[3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

Names & synonyms

SCHEMBL109294ZEMQRZUEOSQLAI-UHFFFAOYSA-N7-[(2,4-Dichloro-3-fluorophenyl)carbonyl]-3-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Database identifiers

PubChem CID
66599296

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
92.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

Loading…