5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-8-nitro-
Basic information
- CAS
61939-64-8- Standard SMILES
CN(C)CCCN1c2ccc([N+](=O)[O-])cc2Oc2nnccc21- InChIKey
JWJLTVQQUJAQCB-UHFFFAOYSA-N- Molecular formula
- C15H17N5O3
- Average molar mass
- 315.33 g/mol
- Monoisotopic mass
- 315.13313942
Names & identifiers
- Preferred name
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-8-nitro-
- IUPAC
- N,N-dimethyl-3-(8-nitropyridazino[3,4-b][1,4]benzoxazin-5-yl)propan-1-amine
Names & synonyms
5-(3-(Dimethylamino)propyl)-8-nitro-5H-pyridazino(3,4-b)(1,4)benzoxazine5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-8-nitro-DTXSID3021097361939-64-8RefChem:305716DTXCID60133464N,N-Dimethyl-3-(8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazin-5-yl)propan-1-amine
Database identifiers
- CAS
61939-64-8- PubChem CID
- 6410486
- DTXSID
DTXSID30210973- Nikkaji
- J78.849J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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