Basic information
- Standard SMILES
O=C1CCC(c2ccc3c(c2)NCCO3)=NN1- InChIKey
JCYVDVKGBLSGOT-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- 6-(3,4-Dihydro-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one
- IUPAC
- 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
CHEMBL124021SCHEMBL7341641JCYVDVKGBLSGOT-UHFFFAOYSA-NBDBM502284556-(3,4-Dihydro-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one
Database identifiers
- PubChem CID
- 15599407
- ChEMBL
CHEMBL124021- Nikkaji
- J272.083C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
3 records
Compound notes
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