Basic information
- Standard SMILES
Cl.O=CCCn1cc(-c2cccnn2)c(=O)[nH]c1=O- InChIKey
LPKOMDCQXKLYQC-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4O3
- Average molar mass
- 282.68 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-dioxo-5-pyridazin-3-yl-3,4-dihydro-2H-pyrimidin-1-yl)-propionaldehyde hydrochloride
- IUPAC
- 3-(2,4-dioxo-5-pyridazin-3-ylpyrimidin-1-yl)propanal;hydrochloride
Names & synonyms
SCHEMBL3564452LPKOMDCQXKLYQC-UHFFFAOYSA-N3-(2,4-dioxo-5-pyridazin-3-yl-3,4-dihydro-2H-pyrimidin-1-yl)-propionaldehyde hydrochloride
Database identifiers
- PubChem CID
- 86615968
Properties
Computed structural properties
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
1 records
Compound notes
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