1416785-40-4Freebase

HCID 71208017

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

Related reactions

5 records

Compound notes

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