Basic information
- Standard SMILES
Nc1cc(-c2ccc3cnccc3c2)on1- InChIKey
UIHDMRRWWJQKFH-UHFFFAOYSA-N- Molecular formula
- C12H9N3O
- Average molar mass
- 211.22 g/mol
Names & identifiers
- Preferred name
- 5-(Isoquinolin-6-yl)isoxazol-3-amine
- IUPAC
- 5-isoquinolin-6-yl-1,2-oxazol-3-amine
Names & synonyms
1105710-07-3SCHEMBL1519716UIHDMRRWWJQKFH-UHFFFAOYSA-N5-(6-Isoquinolinyl)-3-isoxazolamine5-(isoquinolin-6-yl)isoxazol-3-amineDB-196093
Database identifiers
- PubChem CID
- 57950714
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
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