2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol

C12H18N2O3 — CID 103170218

IUPAC2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol
SMILESCOc1cnc(C(O)CC2CCC2)c(OC)n1
InChIInChI=1S/C12H18N2O3/c1-16-10-7-13-11(12(14-10)17-2)9(15)6-8-4-3-5-8/h7-9,15H,3-6H2,1-2H3
InChIKeyPSBMGSQYHIOTDR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.72
Rot. Bonds5

About 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol

2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol (PubChem CID 103170218) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol
PubChem CID103170218
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol
SMILESCOc1cnc(C(O)CC2CCC2)c(OC)n1
InChIInChI=1S/C12H18N2O3/c1-16-10-7-13-11(12(14-10)17-2)9(15)6-8-4-3-5-8/h7-9,15H,3-6H2,1-2H3
InChIKeyPSBMGSQYHIOTDR-UHFFFAOYSA-N
XLogP1.72
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3-Fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11287621
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104368409
1-(3,5-Dimethoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104368410
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
1-(3-Methoxypyrazin-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 104514610
1-(3-Methoxypyrazin-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104514611

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol (CID 103170218) is 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol is COc1cnc(C(O)CC2CCC2)c(OC)n1.
What is the InChIKey of 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol?
The InChIKey is PSBMGSQYHIOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-10-7-13-11(12(14-10)17-2)9(15)6-8-4-3-5-8/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol?
2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol has a molecular weight of 238.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 103170218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).