8-Fluoro-6-methoxy-3-methyl-1-(1,3,5-trimethyl-1h-pyrazol-4-yl)imidazo[5,1-c][1,2,4]benzotriazine

HCID 68596013

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Basic information

CAS: 1226804-25-6
Standard SMILES: COc1cc(F)cc2c1nnc1c(C)nc(-c3c(C)nn(C)c3C)n12
InChIKey: PLJWJNVQCZKNFI-UHFFFAOYSA-N
Molecular formula: C17H17FN6O
Average molar mass: 340.4 g/mol
Monoisotopic mass: 340.14478735

Names & identifiers

Preferred name: 8-Fluoro-6-methoxy-3-methyl-1-(1,3,5-trimethyl-1h-pyrazol-4-yl)imidazo[5,1-c][1,2,4]benzotriazine
IUPAC: 8-fluoro-6-methoxy-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[5,1-c][1,2,4]benzotriazine

Names & synonyms

CHEMBL2070663SCHEMBL3324110DTXSID101116160BDBM503908261226804-25-68-fluoro-6-methoxy-3-methyl-1-(1,3,5-trimethyl-1h-pyrazol-4-yl)imidazo[5,1-c][1,2,4]benzotriazine

Database identifiers

CAS: 1226804-25-6
PubChem CID: 68596013
DTXSID: DTXSID101116160
ChEMBL: CHEMBL2070663

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 25
Formal charge: 0
Complexity: 498

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