[6-(2-methylpropoxy)pyrazin-2-yl]methanol

C9H14N2O2 — CID 66467542

IUPAC[6-(2-methylpropoxy)pyrazin-2-yl]methanol
SMILESCC(C)COc1cncc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-13-9-4-10-3-8(5-12)11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUMSSYBQXPGEIIG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.00
Rot. Bonds4

About [6-(2-methylpropoxy)pyrazin-2-yl]methanol

[6-(2-methylpropoxy)pyrazin-2-yl]methanol (PubChem CID 66467542) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [6-(2-methylpropoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-methylpropoxy)pyrazin-2-yl]methanol
PubChem CID66467542
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[6-(2-methylpropoxy)pyrazin-2-yl]methanol
SMILESCC(C)COc1cncc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-7(2)6-13-9-4-10-3-8(5-12)11-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyUMSSYBQXPGEIIG-UHFFFAOYSA-N
XLogP1.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpropoxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(2-methylpropoxy)pyrazin-2-yl]methanol (CID 66467542) is [6-(2-methylpropoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2-methylpropoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2-methylpropoxy)pyrazin-2-yl]methanol is CC(C)COc1cncc(CO)n1.
What is the InChIKey of [6-(2-methylpropoxy)pyrazin-2-yl]methanol?
The InChIKey is UMSSYBQXPGEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)6-13-9-4-10-3-8(5-12)11-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of [6-(2-methylpropoxy)pyrazin-2-yl]methanol?
[6-(2-methylpropoxy)pyrazin-2-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpropoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 66467542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).