1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol

C15H18N2O — CID 585936

IUPAC1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
SMILESCc1nc(C)c(CC(O)c2ccccc2)nc1C
InChIInChI=1S/C15H18N2O/c1-10-11(2)17-14(12(3)16-10)9-15(18)13-7-5-4-6-8-13/h4-8,15,18H,9H2,1-3H3
InChIKeyLOVSABZZXLEOGD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds3

About 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol

1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol (PubChem CID 585936) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
PubChem CID585936
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
SMILESCc1nc(C)c(CC(O)c2ccccc2)nc1C
InChIInChI=1S/C15H18N2O/c1-10-11(2)17-14(12(3)16-10)9-15(18)13-7-5-4-6-8-13/h4-8,15,18H,9H2,1-3H3
InChIKeyLOVSABZZXLEOGD-UHFFFAOYSA-N
XLogP2.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The IUPAC name of 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol (CID 585936) is 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol.
What is the SMILES notation for 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The canonical SMILES for 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol is Cc1nc(C)c(CC(O)c2ccccc2)nc1C.
What is the InChIKey of 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The InChIKey is LOVSABZZXLEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-11(2)17-14(12(3)16-10)9-15(18)13-7-5-4-6-8-13/h4-8,15,18H,9H2,1-3H3.
What are the key properties of 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3,5,6-trimethylpyrazin-2-yl)ethanol is sourced from PubChem (CID 585936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).