Basic information
- Standard SMILES
CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccon2)c1=O- InChIKey
JAKGRYDCCXIQID-UHFFFAOYSA-N- Molecular formula
- C17H16N4O3
- Average molar mass
- 324.33 g/mol
- Monoisotopic mass
- 324.12224039
Names & identifiers
- Preferred name
- 5-Acetyl-2-ethyl-4-(isoxazol-3-ylamino)-6-phenylpyridazin-3(2H)-one
- IUPAC
- 5-acetyl-2-ethyl-4-(1,2-oxazol-3-ylamino)-6-phenylpyridazin-3-one
Names & synonyms
SCHEMBL3033338JAKGRYDCCXIQID-UHFFFAOYSA-N5-Acetyl-2-ethyl-4-(isoxazol-3-ylamino)-6-phenylpyridazin-3(2H)-one
Database identifiers
- PubChem CID
- 68487280
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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