2-Benzyl-6-methyl-1,2,4-triazine-3,5-dione
Basic information
- CAS
61959-18-0- Standard SMILES
Cc1nn(Cc2ccccc2)c(=O)[nH]c1=O- InChIKey
JQRLVJUJBNDOAZ-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 2-Benzyl-6-methyl-1,2,4-triazine-3,5-dione
- IUPAC
- 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione
Names & synonyms
61959-18-02-benzyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione2-benzyl-6-methyl-1,2,4-triazine-3,5-dioneAC1N41ZNOprea1_566516SCHEMBL7833852DTXSID90399051STK996165AKOS001629158SR-01000453431SR-01000453431-1
Database identifiers
- CAS
61959-18-0- PubChem CID
- 4074064
- DTXSID
DTXSID90399051- Nikkaji
- J2.007.331D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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