1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C17H20N2O2 — CID 104514467

IUPAC1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1nccnc1C(C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20N2O2/c1-17(20,15-16(21-2)19-10-9-18-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,20H,3-6H2,1-2H3
InChIKeyVMBATVWUOJHIBA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 104514467) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID104514467
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCOc1nccnc1C(C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H20N2O2/c1-17(20,15-16(21-2)19-10-9-18-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,20H,3-6H2,1-2H3
InChIKeyVMBATVWUOJHIBA-UHFFFAOYSA-N
XLogP2.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-1-phenylethanol
CID 113421421
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681
1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 103130101
1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 114684152
1-(5-fluoro-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514737
5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
CID 114851831
1-(3,4-dihydro-2H-pyran-6-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 102646424
1-(4-ethylphenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104514796
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
1-(3,5-dimethylcyclohexyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 64730675

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 104514467) is 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is COc1nccnc1C(C)(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is VMBATVWUOJHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(20,15-16(21-2)19-10-9-18-15)14-8-7-12-5-3-4-6-13(12)11-14/h7-11,20H,3-6H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
1-(3-methoxypyrazin-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.62, 3 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)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 104514467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).