1,3,6-Trimethylbenzo[g]pteridine-2,4(1H,3H)-dione
Basic information
- CAS
827017-59-4- Standard SMILES
Cc1cccc2nc3c(nc12)c(=O)n(C)c(=O)n3C- InChIKey
LKTOTSLYXVCMBJ-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.09602564
Names & identifiers
- Preferred name
- 1,3,6-Trimethylbenzo[g]pteridine-2,4(1H,3H)-dione
- IUPAC
- 1,3,6-trimethylbenzo[g]pteridine-2,4-dione
Names & synonyms
1,3,6-Trimethylbenzo[g]pteridine-2,4(1H,3H)-dione827017-59-4DTXSID30837205
Database identifiers
- CAS
827017-59-4- PubChem CID
- 71417875
- DTXSID
DTXSID30837205- Nikkaji
- J2.735.997C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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