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Basic information
- Standard SMILES
CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(NCC(F)(F)F)nc3)n2)n1- InChIKey
LRQSEBZOZLGAHC-UHFFFAOYSA-N- Molecular formula
- C19H16F3N9O
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 443.14299065
Names & identifiers
- Preferred name
- 2-N-Methyl-2-N-phenyl-6-(5-{6-[(2,2,2-trifluoroethyl)amino]pyridin-3-yl}-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-methyl-2-N-phenyl-6-[5-[6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
Names & synonyms
2-N-Methyl-2-N-phenyl-6-(5-{6-[(2,2,2-trifluoroethyl)amino]pyridin-3-yl}-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamineSCHEMBL794771
Database identifiers
- PubChem CID
- 66802401
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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