1,4,5,6-Tetrahydro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine trifluoroacetate

HCID 9838580
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1noc(C2CN=CNC2)n1.O=C(O)C(F)(F)F
InChIKey
VNNPKITYMMVTIG-UHFFFAOYSA-N
Molecular formula
C9H11F3N4O3
Average molar mass
280.2 g/mol

Names & identifiers

Preferred name
1,4,5,6-Tetrahydro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine trifluoroacetate
IUPAC
3-methyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid

Names & synonyms

1,4,5,6-Tetrahydro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine trifluoroacetateSCHEMBL8307259

Database identifiers

PubChem CID
9838580
ChEMBL
CHEMBL277014

Properties

Computed structural properties

Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
1
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

Loading…