Basic information
- Standard SMILES
O=C1CCN(c2ncc(B(O)O)cn2)CCN1- InChIKey
FHVAPWAWZOMTSU-UHFFFAOYSA-N- Molecular formula
- C9H13BN4O3
- Average molar mass
- 236.04 g/mol
Names & identifiers
- Preferred name
- [2-(5-Oxo-1,4-diazepan-1-yl)pyrimidin-5-yl]boronic acid
- IUPAC
- [2-(5-oxo-1,4-diazepan-1-yl)pyrimidin-5-yl]boronic acid
Names & synonyms
SCHEMBL15416439FHVAPWAWZOMTSU-UHFFFAOYSA-N[2-(5-Oxo-1,4-diazepan-1-yl)pyrimidin-5-yl]boronic acid
Database identifiers
- PubChem CID
- 89924338
Properties
Computed structural properties
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
1 records
Compound notes
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