Basic information
- Standard SMILES
c1ccc2c(Cn3cncn3)noc2c1- InChIKey
BGDMDSZVMJAHJQ-UHFFFAOYSA-N- Molecular formula
- C10H8N4O
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 200.06981089
Names & identifiers
- Preferred name
- 3-[(1H-1,2,4-triazol-1-yl)methyl]-1,2-benzisoxazole
- IUPAC
- 3-(1,2,4-triazol-1-ylmethyl)-1,2-benzoxazole
Names & synonyms
SCHEMBL9689580BGDMDSZVMJAHJQ-UHFFFAOYSA-N3-[(1H-1,2,4-triazol-1-yl)methyl]-1,2-benzisoxazole
Database identifiers
- PubChem CID
- 14575004
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
3 records
Compound notes
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