ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate

C13H22N2O3 — CID 145374338

IUPACethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
SMILESCC.COc1nc(C(C)C)c(OC(C)=O)nc1C
InChIInChI=1S/C11H16N2O3.C2H6/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5;1-2/h6H,1-5H3;1-2H3
InChIKeyBVBYAYWNROIFFV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.87
Rot. Bonds3

About ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate

ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate (PubChem CID 145374338) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate.

Molecular Properties

Compound Nameethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
PubChem CID145374338
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
SMILESCC.COc1nc(C(C)C)c(OC(C)=O)nc1C
InChIInChI=1S/C11H16N2O3.C2H6/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5;1-2/h6H,1-5H3;1-2H3
InChIKeyBVBYAYWNROIFFV-UHFFFAOYSA-N
XLogP2.87
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The IUPAC name of ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate (CID 145374338) is ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate.
What is the SMILES notation for ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The canonical SMILES for ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate is CC.COc1nc(C(C)C)c(OC(C)=O)nc1C.
What is the InChIKey of ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The InChIKey is BVBYAYWNROIFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C2H6/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5;1-2/h6H,1-5H3;1-2H3.
What are the key properties of ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate has a molecular weight of 254.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate is sourced from PubChem (CID 145374338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).