Basic information
- CAS
56011-45-1- Standard SMILES
CCC1=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC1- InChIKey
MSHSOUZZMBNYAM-UHFFFAOYSA-N- Molecular formula
- C12H16N6O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.13347377
Names & identifiers
- Preferred name
- 3-Ethyl-4,5-dihydro-8,10-dimethyl-1H-[1,2,4]triazepino[3,4-f]purine-7,9(8H,10H)-dione
- IUPAC
- 3-ethyl-8,10-dimethyl-4,5-dihydro-1H-purino[8,7-c][1,2,4]triazepine-7,9-dione
Names & synonyms
DTXSID3011275393-Ethyl-4,5-dihydro-8,10-dimethyl-1H-[1,2,4]triazepino[3,4-f]purine-7,9(8H,10H)-dione56011-45-13-Ethyl-8,10-dimethyl-4,11-dihydro-5H-[1,2,4]triazepino[3,4-f]purine-7,9(8H,10H)-dione
Database identifiers
- CAS
56011-45-1- PubChem CID
- 12200220
- DTXSID
DTXSID301127539- EC Number
- 611-344-1
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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