Basic information
- CAS
65172-74-9- Standard SMILES
Cc1cccc(-n2nc3c(=O)n(C)c(=O)n(C)c3nc2=O)c1- InChIKey
COADKVMHGHITFU-UHFFFAOYSA-N- Molecular formula
- C14H13N5O3
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.10183929
Names & identifiers
- Preferred name
- Pyrimido(4,5-e)-1,2,4-triazine-3,6,8(2H,5H,7H)-trione, 5,7-dimethyl-2-(3-methylphenyl)-
- IUPAC
- 5,7-dimethyl-2-(3-methylphenyl)pyrimido[4,5-e][1,2,4]triazine-3,6,8-trione
Names & synonyms
65172-74-9U78U8K112ZPyrimido(4,5-e)-1,2,4-triazine-3,6,8(2H,5H,7H)-trione, 5,7-dimethyl-2-(3-methylphenyl)-NSC292895NSC 292895UNII-U78U8K112ZNSC-2928955,7-Dimethyl-2-(3-methylphenyl)pyrimido(4,5-E)-1,2,4-triazine-3,6,8(2H,5H,7H)-trionePyrimido[4,5-e]-1,2,4-triazine-3,6,8(2H,5H,7H)-trione, 5,7-dimethyl-2-(3-methylphenyl)-DTXSID402154795,7-dimethyl-2-(m-tolyl)pyrimido[4,5-e][1,2,4]triazine-3,6,8-trione5,7-Dimethyl-2-(3-methylphenyl)pyrimido[4,5-e][1,2,4]triazine-3,6,8(2H,5H,7H)-trione
Database identifiers
- CAS
65172-74-9- PubChem CID
- 325099
- DTXSID
DTXSID40215479- UNII
- U78U8K112Z
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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