4-Hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
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Basic information
- CAS
306976-49-8- Standard SMILES
COc1cccc(-n2nc(C(N)=O)c(O)cc2=O)c1- InChIKey
YLJJNYJSVGZYNL-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- 4-Hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
- IUPAC
- 4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamide
- English name
- 4-HYDROXY-1-(3-METHOXYPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXAMIDE
- Molecular formula
- C12H11N3O4
- Molecular weight
- 261.23
Names & synonyms
306976-49-84-hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide4-hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide4-hydroxy-1-(3-methoxyphenyl)-6-oxopyridazine-3-carboxamideOprea1_428525MLS000763746CHEMBL1432106HMS2638E24HMS3359P11MFCD00244224AKOS005079994SMR000334097
Show more names
3-Pyridazinecarboxamide, 1,6-dihydro-4-hydroxy-1-(3-methoxyphenyl)-6-oxo-
12G-0094-hydroxy-1-(3-methoxyphenyl)-6-oxo-pyridazine-3-carboxamide
Database identifiers
- CAS
306976-49-8- PubChem CID
- 54696636
- ChEMBL
CHEMBL1432106
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 478.4 · 478.4±55.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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