1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol

C13H22N2O2 — CID 115831089

IUPAC1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1nccnc1C(O)CC(C)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-9(13(2,3)4)8-10(16)11-12(17-5)15-7-6-14-11/h6-7,9-10,16H,8H2,1-5H3
InChIKeyLBKZDLFADKHJLL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol

1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol (PubChem CID 115831089) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
PubChem CID115831089
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
SMILESCOc1nccnc1C(O)CC(C)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-9(13(2,3)4)8-10(16)11-12(17-5)15-7-6-14-11/h6-7,9-10,16H,8H2,1-5H3
InChIKeyLBKZDLFADKHJLL-UHFFFAOYSA-N
XLogP2.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 104515130
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706
1-(3-methoxypyrazin-2-yl)-3,5,5-trimethylhexan-1-amine
CID 105031783
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
3-(3-methoxypyrazin-2-yl)butanoic acid
CID 104516745
(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421542
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol (CID 115831089) is 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol is COc1nccnc1C(O)CC(C)C(C)(C)C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol?
The InChIKey is LBKZDLFADKHJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(13(2,3)4)8-10(16)11-12(17-5)15-7-6-14-11/h6-7,9-10,16H,8H2,1-5H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol?
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 115831089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).