Basic information
- Standard SMILES
COc1cc(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3cccnn3)c(=O)[nH]2)cc1OC- InChIKey
RULHAKXNTTXUAN-UHFFFAOYSA-N- Molecular formula
- C24H21FN8O4
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.16697934
Names & identifiers
- Preferred name
- 5-{(2-Fluoro-4,5-dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2-pyridazin-3-yl-2,4-dihydro-[1,2,4]triazol-3-one
- IUPAC
- 5-[(2-fluoro-4,5-dimethoxyphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-2-pyridazin-3-yl-4H-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL1621058RULHAKXNTTXUAN-UHFFFAOYSA-N5-{(2-fluoro-4,5-dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-2-pyridazin-3-yl-2,4-dihydro-[1,2,4]triazol-3-one
Database identifiers
- PubChem CID
- 136366604
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 816
Related reactions
3 records
Compound notes
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