Basic information
- CAS
18472-19-0- Standard SMILES
N#CCOc1nc2cnccn2c(=O)c1-c1ccccc1- InChIKey
CLNUGORKXQHKSB-UHFFFAOYSA-N- Molecular formula
- C15H10N4O2
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.08037557
Names & identifiers
- Preferred name
- 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(cyanomethoxy)-3-phenyl-
- IUPAC
- 2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxyacetonitrile
- English name
- 2-(Cyanomethoxy)-3-phenyl-4H-pyrazino[1,2-a]pyrimidin-4-one
- Molecular weight
- 0
Names & synonyms
18472-19-0BRN 06906074H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(cyanomethoxy)-3-phenyl-2-(Cyanomethoxy)-3-phenyl-4H-pyrazino(1,2-a)pyrimidin-4-oneDTXSID101716592-(Cyanomethoxy)-3-phenyl-4H-pyrazino[1,2-a]pyrimidin-4-oneRefChem:297683DTXCID0094150[(4-oxo-3-phenyl-4h-pyrazino[1,2-a]pyrimidin-2-yl)oxy]acetonitrile2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxyacetonitrile
Database identifiers
- CAS
18472-19-0- PubChem CID
- 87666
- DTXSID
DTXSID10171659- Nikkaji
- J113.406J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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