Basic information
- CAS
67077-29-6- Standard SMILES
CC(=O)N1CCCC1c1ccnnc1- InChIKey
IHLACENSTMVLNL-UHFFFAOYSA-N- Molecular formula
- C10H13N3O
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.10586205
Names & identifiers
- Preferred name
- 1-[2-(Pyridazin-4-yl)pyrrolidin-1-yl]ethan-1-one
- IUPAC
- 1-(2-pyridazin-4-ylpyrrolidin-1-yl)ethanone
Names & synonyms
67077-29-61-[2-(Pyridazin-4-yl)pyrrolidin-1-yl]ethan-1-one1-(2-pyridazin-4-ylpyrrolidin-1-yl)ethanoneDTXSID70545650
Database identifiers
- CAS
67077-29-6- PubChem CID
- 13639416
- DTXSID
DTXSID70545650
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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