(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate

C11H16N2O2 — CID 155366107

IUPAC(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate
SMILESCCc1nc(C)c(COC(C)=O)nc1C
InChIInChI=1S/C11H16N2O2/c1-5-10-7(2)13-11(8(3)12-10)6-15-9(4)14/h5-6H2,1-4H3
InChIKeyGPIOUAGLYAUVQE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.72
Rot. Bonds3

About (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate

(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate (PubChem CID 155366107) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate
PubChem CID155366107
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate
SMILESCCc1nc(C)c(COC(C)=O)nc1C
InChIInChI=1S/C11H16N2O2/c1-5-10-7(2)13-11(8(3)12-10)6-15-9(4)14/h5-6H2,1-4H3
InChIKeyGPIOUAGLYAUVQE-UHFFFAOYSA-N
XLogP1.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate?
The IUPAC name of (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate (CID 155366107) is (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate.
What is the SMILES notation for (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate?
The canonical SMILES for (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate is CCc1nc(C)c(COC(C)=O)nc1C.
What is the InChIKey of (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate?
The InChIKey is GPIOUAGLYAUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-10-7(2)13-11(8(3)12-10)6-15-9(4)14/h5-6H2,1-4H3.
What are the key properties of (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate?
(5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate has a molecular weight of 208.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3,6-dimethylpyrazin-2-yl)methyl acetate is sourced from PubChem (CID 155366107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).