Basic information
- Standard SMILES
Nc1nc(-c2ccco2)c2nnn(CC(=O)c3ccccc3)c2n1- InChIKey
OTUALLLJQXQVLY-UHFFFAOYSA-N- Molecular formula
- C16H12N6O2
- Average molar mass
- 320.31 g/mol
Names & identifiers
- Preferred name
- 2-(5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)-1-Phenylethanone
- IUPAC
- 2-[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]-1-phenylethanone
Names & synonyms
SCHEMBL4045562OTUALLLJQXQVLY-UHFFFAOYSA-N2-(5-Amino-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-3-Yl)-1-Phenylethanone
Database identifiers
- PubChem CID
- 9836734
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
3 records
Compound notes
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