Basic information
- CAS
7486-06-8- Standard SMILES
c1ncc2oncc2n1- InChIKey
XIENVIDSFHMNLY-UHFFFAOYSA-N- Molecular formula
- C5H3N3O
- Average molar mass
- 121.1 g/mol
- Monoisotopic mass
- 121.02761173
Names & identifiers
- Preferred name
- Isoxazolo[4,5-D]pyrimidine
- IUPAC
- [1,2]oxazolo[4,5-d]pyrimidine
- English name
- Isoxazolo[4,5-d]pyrimidine (8CI,9CI)
- Molecular formula
- C5H3N3O
- Molecular weight
- 121.09682
Names & synonyms
ISOXAZOLO[4,5-D]PYRIMIDINE7486-06-8SCHEMBL6837629SCHEMBL17713552SCHEMBL17713554SCHEMBL30131115DTXSID00627958[1,2]oxazolo[4,5-d]pyrimidineIsoxazolo[4,5-d]pyrimidine (8CI,9CI)
Database identifiers
- CAS
7486-06-8- PubChem CID
- 22736799
- DTXSID
DTXSID00627958
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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