Basic information
- Standard SMILES
CC1(C)OB(c2cnn(C3(CC#N)CNC3)c2)OC1(C)C.Cl- InChIKey
HXSPMFRDOCSGIP-UHFFFAOYSA-N- Molecular formula
- C14H22BClN4O2
- Average molar mass
- 324.62 g/mol
Names & identifiers
- Preferred name
- 1416785-40-4Freebase
- IUPAC
- 2-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;hydrochloride
Names & synonyms
1416785-40-4freebaseSCHEMBL14575017HXSPMFRDOCSGIP-UHFFFAOYSA-N{3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile HCl salt{3-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile hydrochloride
Database identifiers
- PubChem CID
- 71208017
Properties
Computed structural properties
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
5 records
Compound notes
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