3,4,7,8,9,10-Hexahydro-[1,2,4]triazepino[5,6-b]quinolin-5-one
Basic information
- CAS
85516-75-2- Standard SMILES
O=C1NNC=Nc2nc3c(cc21)CCCC3- InChIKey
MMWDYFXXLXNAAZ-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- 3,4,7,8,9,10-Hexahydro-[1,2,4]triazepino[5,6-b]quinolin-5-one
- IUPAC
- 3,4,7,8,9,10-hexahydro-[1,2,4]triazepino[5,6-b]quinolin-5-one
Names & synonyms
85516-75-2NSC378573AC1MRS0FDTXSID90393291NSC-3785731,4,7,8,9,10-hexahydro-[1,2,4]triazepino[5,6-b]quinolin-5-one1,4,7,8,9,10-Hexahydro-5H-[1,2,4]triazepino[5,6-b]quinolin-5-one3,4,7,8,9,10-Hexahydro-5H-[1,2,4]triazepino[5,6-b]quinolin-5-one
Database identifiers
- CAS
85516-75-2- PubChem CID
- 3522883
- DTXSID
DTXSID90393291
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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