Basic information
- Standard SMILES
Nc1nnc(-c2ccc3cnccc3c2)o1- InChIKey
KGICEPCQMQCTPO-UHFFFAOYSA-N- Molecular formula
- C11H8N4O
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.06981089
Names & identifiers
- Preferred name
- 5-(Isoquinolin-6-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-isoquinolin-6-yl-1,3,4-oxadiazol-2-amine
Names & synonyms
5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-amine1105709-91-8SCHEMBL1519932KGICEPCQMQCTPO-UHFFFAOYSA-NDA-15541
Database identifiers
- PubChem CID
- 57950700
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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