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Basic information
- CAS
15677-10-8- Standard SMILES
Cn1ncc(=O)n(C)c1=O- InChIKey
IVFPHZYXZYQYNI-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382646
Names & identifiers
- Preferred name
- 2,4-Dimethyl-1,2,4-triazine-3,5-dione
- IUPAC
- 2,4-dimethyl-1,2,4-triazine-3,5-dione
- English name
- 2,4-dimethyl-1,2,4-triazine-3,5-dione
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
2,4-dimethyl-1,2,4-triazine-3,5-dione15677-10-8DTXSID70310481RefChem:246534DTXCID302616072,4-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dioneNSC227396SCHEMBL7898559IVFPHZYXZYQYNI-UHFFFAOYSA-NNSC-2273962,4-Dimethyl-2H-[1,2,4]triazine-3,5-dione1,2,4-Triazine-3,5(2H,4H)-dione, 2,4-dimethyl-
Database identifiers
- CAS
15677-10-8- PubChem CID
- 313452
- DTXSID
DTXSID70310481- Nikkaji
- J1.379.297F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 189.6 · 189.6±23.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -1.76 · -1.76±0.20(Predicted)
Related reactions
1 records
Compound notes
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