2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine

C14H16N2O — CID 167101555

IUPAC2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine
SMILESCCc1cccc(-c2cnc(C)cn2)c1OC
InChIInChI=1S/C14H16N2O/c1-4-11-6-5-7-12(14(11)17-3)13-9-15-10(2)8-16-13/h5-9H,4H2,1-3H3
InChIKeyOVTKUCSPFMMBKJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.02
Rot. Bonds3

About 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine

2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine (PubChem CID 167101555) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine
PubChem CID167101555
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine
SMILESCCc1cccc(-c2cnc(C)cn2)c1OC
InChIInChI=1S/C14H16N2O/c1-4-11-6-5-7-12(14(11)17-3)13-9-15-10(2)8-16-13/h5-9H,4H2,1-3H3
InChIKeyOVTKUCSPFMMBKJ-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine?
The IUPAC name of 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine (CID 167101555) is 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine.
What is the SMILES notation for 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine?
The canonical SMILES for 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine is CCc1cccc(-c2cnc(C)cn2)c1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine?
The InChIKey is OVTKUCSPFMMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-11-6-5-7-12(14(11)17-3)13-9-15-10(2)8-16-13/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine?
2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine has a molecular weight of 228.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine is sourced from PubChem (CID 167101555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).