Basic information
- CAS
1374578-83-2- Standard SMILES
CC1(C)C[C@@H]2CC(C)(CN2Cn2nc3c(cc2=O)CCC3)C1- InChIKey
OSLPUCIHRWQHJB-IKJXHCRLSA-N- Molecular formula
- C18H27N3O
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.21541249
Names & identifiers
- Preferred name
- 3H-Cyclopenta[c]pyridazin-3-one, 2,5,6,7-tetrahydro-2-[[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl]-
- IUPAC
- 2-[[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
Names & synonyms
DTXSID3011072181374578-83-23H-Cyclopenta[c]pyridazin-3-one, 2,5,6,7-tetrahydro-2-[[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl]-
Database identifiers
- CAS
1374578-83-2- PubChem CID
- 165367296
- DTXSID
DTXSID301107218
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…