1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone

C14H14N2O2 — CID 86690833

IUPAC1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Oc2cnccn2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-6-12(7-10(2)14(9)11(3)17)18-13-8-15-4-5-16-13/h4-8H,1-3H3
InChIKeySPTVQAGNPJGWDC-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone

1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone (PubChem CID 86690833) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone
PubChem CID86690833
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(C)cc(Oc2cnccn2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-6-12(7-10(2)14(9)11(3)17)18-13-8-15-4-5-16-13/h4-8H,1-3H3
InChIKeySPTVQAGNPJGWDC-UHFFFAOYSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone (CID 86690833) is 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone is CC(=O)c1c(C)cc(Oc2cnccn2)cc1C.
What is the InChIKey of 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone?
The InChIKey is SPTVQAGNPJGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-12(7-10(2)14(9)11(3)17)18-13-8-15-4-5-16-13/h4-8H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone?
1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone has a molecular weight of 242.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyrazin-2-yloxyphenyl)ethanone is sourced from PubChem (CID 86690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).