Basic information
- Standard SMILES
C#CC(C)OC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1- InChIKey
VZWVQDDGMWFFJN-UHFFFAOYSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
Names & identifiers
- Preferred name
- 4,5-dihydro-5-methyl-6-[p-(1-methylprop-2-ynyloxycarbonylamino)-phenyl]-3(2H)-pyridazinone
- IUPAC
- but-3-yn-2-yl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
Names & synonyms
SCHEMBL11173953VZWVQDDGMWFFJN-UHFFFAOYSA-N4,5-dihydro-5-methyl-6-[p-(1-methylprop-2-ynyloxycarbonylamino)-phenyl]-3( 2H)-pyridazinone
Database identifiers
- PubChem CID
- 12848792
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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