Basic information
- CAS
5446-09-3- Standard SMILES
COc1ccc(-n2nc(C)cc(N)c2=O)cc1- InChIKey
NSQLGICVHTVEHD-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 4-Amino-2-(4-methoxyphenyl)-6-methyl-3(2H)-pyridazinone
- IUPAC
- 4-amino-2-(4-methoxyphenyl)-6-methylpyridazin-3-one
Names & synonyms
5446-09-34-Amino-2-(4-methoxyphenyl)-6-methyl-3(2H)-pyridazinoneBI41NP4AWKUNII-BI41NP4AWKNSC 17172NSC-17172DTXSID202028623(2H)-PYRIDAZINONE, 4-AMINO-2-(4-METHOXYPHENYL)-6-METHYL-RefChem:97689DTXCID50125353NSC171724-amino-2-(4-methoxyphenyl)-6-methyl-pyridazin-3-one
Show more names
4-amino-2-(4-methoxyphenyl)-6-methylpyridazin-3-oneDS-0052624-Amino-2-(4-methoxyphenyl)-6-methylpyridazin-3(2H)-one
Database identifiers
- CAS
5446-09-3- PubChem CID
- 226572
- DTXSID
DTXSID20202862- UNII
- BI41NP4AWK
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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