Basic information
- Standard SMILES
Cc1ccc(N2CC(C(=O)OC(C)(C)C)C2)nn1- InChIKey
NXJAFJGTHQEXST-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- Tert-butyl 1-(6-methylpyridazin-3-yl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-(6-methylpyridazin-3-yl)azetidine-3-carboxylate
Names & synonyms
SCHEMBL15380076NXJAFJGTHQEXST-UHFFFAOYSA-Ntert-butyl 1-(6-methylpyridazin-3-yl)azetidine-3-carboxylate
Database identifiers
- PubChem CID
- 86702114
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
1 records
Compound notes
Loading…