3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane

C13H19N3O — CID 114199728

IUPAC3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCc1ncc(OC2CC3CCC(C2)N3)nc1C
InChIInChI=1S/C13H19N3O/c1-8-9(2)15-13(7-14-8)17-12-5-10-3-4-11(6-12)16-10/h7,10-12,16H,3-6H2,1-2H3
InChIKeyFYWMBZSAWCSZJF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds2

About 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane

3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane (PubChem CID 114199728) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane
PubChem CID114199728
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane
SMILESCc1ncc(OC2CC3CCC(C2)N3)nc1C
InChIInChI=1S/C13H19N3O/c1-8-9(2)15-13(7-14-8)17-12-5-10-3-4-11(6-12)16-10/h7,10-12,16H,3-6H2,1-2H3
InChIKeyFYWMBZSAWCSZJF-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethylpyrazin-2-yl)oxycyclohexan-1-amine
CID 114477112
(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 73053571
(1R,5S)-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
CID 58878529
(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 100665905
(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane
CID 67528751
3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 91812489
3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411641
(1S,5R)-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411639
(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane
CID 71100410
(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 53323531
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 66754415

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane (CID 114199728) is 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane is Cc1ncc(OC2CC3CCC(C2)N3)nc1C.
What is the InChIKey of 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
The InChIKey is FYWMBZSAWCSZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-9(2)15-13(7-14-8)17-12-5-10-3-4-11(6-12)16-10/h7,10-12,16H,3-6H2,1-2H3.
What are the key properties of 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane?
3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane has a molecular weight of 233.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114199728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).