Basic information
- Standard SMILES
CCOC(=O)c1c(O)c2cc(C#N)cn2n(CCC(C)C)c1=O- InChIKey
MDVDDTVTDDEMHL-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4
- Average molar mass
- 317.34 g/mol
Names & identifiers
- Preferred name
- 6-Cyano-4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 6-cyano-4-hydroxy-1-(3-methylbutyl)-2-oxopyrrolo[1,2-b]pyridazine-3-carboxylate
Names & synonyms
SCHEMBL3761082MDVDDTVTDDEMHL-UHFFFAOYSA-N6-cyano-4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59853563
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Related reactions
7 records
Compound notes
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