Basic information
- Standard SMILES
CCn1c(=O)c2c(no[n+]2[O-])n(Cc2cccnc2)c1=O- InChIKey
LSHXTNJPDRYXCA-UHFFFAOYSA-N- Molecular formula
- C12H11N5O4
- Average molar mass
- 289.25 g/mol
Names & identifiers
- Preferred name
- 6-ethyl-4-(3-pyridylmethyl)-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione-1-oxide
- IUPAC
- 6-ethyl-1-oxido-4-(pyridin-3-ylmethyl)-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
Names & synonyms
SCHEMBL9251573LSHXTNJPDRYXCA-UHFFFAOYSA-N6-ethyl-4-(3-pyridylmethyl)-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione-1-oxide
Database identifiers
- PubChem CID
- 20097007
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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