Basic information
- Standard SMILES
N#CCc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)n1- InChIKey
HPEHTWROERTIMH-UHFFFAOYSA-N- Molecular formula
- C16H12N8O
- Average molar mass
- 332.32 g/mol
Names & identifiers
- Preferred name
- 3-(6-Cyanomethyl-2-Pyridylmethyl)-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidine-5-Amine
- IUPAC
- 2-[6-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]acetonitrile
Names & synonyms
SCHEMBL4046240HPEHTWROERTIMH-UHFFFAOYSA-N3-(6-Cyanomethyl-2-Pyridylmethyl)-7-(2-Furyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidine-5-Amine
Database identifiers
- PubChem CID
- 21874549
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
Loading…