4-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
Basic information
- CAS
57270-79-8- Standard SMILES
N#Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1- InChIKey
CBVJTZOGNARWMM-UHFFFAOYSA-N- Molecular formula
- C12H7N3O3
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.04874109
Names & identifiers
- Preferred name
- 4-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
- IUPAC
- 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
Names & synonyms
NSC63661557270-79-84-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile4-((2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl)benzonitrileSCHEMBL13044569DTXSID60327169STL428339AKOS000413552NSC-636615ST509736504-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzonitrile4-[(2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]benzenecarbonitrile
Show more names
4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzonitrile
Database identifiers
- CAS
57270-79-8- PubChem CID
- 367150
- DTXSID
DTXSID60327169
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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