5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

C8H12ClN3O — CID 126794696

IUPAC5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C23CC(CN2)C3)n1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8;/h6,9H,2-4H2,1H3;1H
InChIKeyCABDESWHGMZSHG-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.01
Rot. Bonds1

About 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 126794696) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID126794696
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C23CC(CN2)C3)n1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8;/h6,9H,2-4H2,1H3;1H
InChIKeyCABDESWHGMZSHG-UHFFFAOYSA-N
XLogP1.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 126794696) is 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C23CC(CN2)C3)n1.Cl.
What is the InChIKey of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is CABDESWHGMZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8;/h6,9H,2-4H2,1H3;1H.
What are the key properties of 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 126794696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).