Basic information
- Standard SMILES
OB(O)c1cnc(CCCCn2ccnn2)nc1- InChIKey
NLOPRDZVWDJXRD-UHFFFAOYSA-N- Molecular formula
- C10H14BN5O2
- Average molar mass
- 247.06 g/mol
Names & identifiers
- Preferred name
- 2-(4-[1,2,3]Triazol-1-yl-butyl)-pyrimidine-5-boronic acid
- IUPAC
- [2-[4-(triazol-1-yl)butyl]pyrimidin-5-yl]boronic acid
Names & synonyms
SCHEMBL5556153NLOPRDZVWDJXRD-UHFFFAOYSA-N2-(4-[1,2,3]Triazol-1-yl-butyl)-pyrimidine-5-boronic acid866026-26-8
Database identifiers
- PubChem CID
- 69486270
Properties
Computed structural properties
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 238
Related reactions
3 records
Compound notes
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