4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol

C13H19N3O3 — CID 105365969

IUPAC4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1cnc(C2(O)CCN3CCC2C3)c(OC)n1
InChIInChI=1S/C13H19N3O3/c1-18-10-7-14-11(12(15-10)19-2)13(17)4-6-16-5-3-9(13)8-16/h7,9,17H,3-6,8H2,1-2H3
InChIKeyIRQGMZUHKVKUIV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.41
Rot. Bonds3

About 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365969) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365969
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1cnc(C2(O)CCN3CCC2C3)c(OC)n1
InChIInChI=1S/C13H19N3O3/c1-18-10-7-14-11(12(15-10)19-2)13(17)4-6-16-5-3-9(13)8-16/h7,9,17H,3-6,8H2,1-2H3
InChIKeyIRQGMZUHKVKUIV-UHFFFAOYSA-N
XLogP0.41
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365838
cyclopropyl-[4-(3,5-dimethoxypyrazin-2-yl)-4-hydroxypiperidin-1-yl]methanone
CID 95803568
3-amino-1-(3,5-dimethoxypyrazin-2-yl)cyclopentan-1-ol
CID 113404073
4-(1-methylimidazol-2-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365830
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 19784188
4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365733
4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105366009
4-[4-(trifluoromethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365916
4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365117
(3,5-dimethoxypyrazin-2-yl)-(2,2-dimethylcyclopentyl)methanamine
CID 107190660
3-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol;oxalic acid
CID 19802625

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365969) is 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol is COc1cnc(C2(O)CCN3CCC2C3)c(OC)n1.
What is the InChIKey of 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is IRQGMZUHKVKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-10-7-14-11(12(15-10)19-2)13(17)4-6-16-5-3-9(13)8-16/h7,9,17H,3-6,8H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 265.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxypyrazin-2-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).