3-Trifluoromethyl-pyrido(3,4-e)(1,2,4)triazine

HCID 516595

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Basic information

CAS: 121845-48-5
Standard SMILES: FC(F)(F)c1nnc2ccncc2n1
InChIKey: FEIRGJXSTUPNRL-UHFFFAOYSA-N
Molecular formula: C7H3F3N4
Average molar mass: 200.12 g/mol
Monoisotopic mass: 200.0309806

Names & identifiers

Preferred name: 3-Trifluoromethyl-pyrido(3,4-e)(1,2,4)triazine
IUPAC: 3-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazine

Names & synonyms

121845-48-53-Trifluoromethyl-pyrido(3,4-e)(1,2,4)triazine3-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazine3-Trifluoromethyl-pyrido[3,4-e][1,2,4]triazineCHEMBL83493DTXSID20153385

Database identifiers

CAS: 121845-48-5
PubChem CID: 516595
DTXSID: DTXSID20153385
ChEMBL: CHEMBL83493
Nikkaji: J239.904K

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 51.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 208

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