6-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one
Basic information
- CAS
114603-15-5- Standard SMILES
CC1CC(=O)NN=C1c1ccc2c(c1)NC(=O)CO2- InChIKey
WFCGZVPYYVRGAD-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569128
Names & identifiers
- Preferred name
- 6-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
Names & synonyms
CHEMBL127258SCHEMBL7349435WFCGZVPYYVRGAD-UHFFFAOYSA-NDTXSID101136586BDBM502284686-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one6-(4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-2H-1,4-benzoxazin-3(4H)-one114603-15-56-(3,4-dihydro-3-oxo-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydro-5-methylpyridazin-3-one
Database identifiers
- CAS
114603-15-5- PubChem CID
- 9816616
- DTXSID
DTXSID101136586- ChEMBL
CHEMBL127258- Nikkaji
- J272.088D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Related reactions
2 records
Compound notes
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