Basic information
- Standard SMILES
CCC(C)(C)C(=O)C(=O)C1CCCNN1C(=O)CCCC#Cc1cccnc1- InChIKey
CEOPDFWAUQROSP-UHFFFAOYSA-N- Molecular formula
- C22H29N3O3
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl] pentane-1,2-dione
- IUPAC
- 3,3-dimethyl-1-[2-(6-pyridin-3-ylhex-5-ynoyl)diazinan-3-yl]pentane-1,2-dione
Names & synonyms
SCHEMBL5364031CEOPDFWAUQROSP-UHFFFAOYSA-N3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl] pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl]pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5-ynoyl)perhydropyridazinyl] pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5-ynoyl)perhydropyridazinyl]pentane-1,2-dione
Database identifiers
- PubChem CID
- 18470072
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 644
Related reactions
6 records
Linked notes
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