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

C11H16N2O3 — CID 145374339

IUPAC(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
SMILESCOc1nc(C(C)C)c(OC(C)=O)nc1C
InChIInChI=1S/C11H16N2O3/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5/h6H,1-5H3
InChIKeyRULGRRCMMUQRML-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.84
Rot. Bonds3

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

(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate (PubChem CID 145374339) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
PubChem CID145374339
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate
SMILESCOc1nc(C(C)C)c(OC(C)=O)nc1C
InChIInChI=1S/C11H16N2O3/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5/h6H,1-5H3
InChIKeyRULGRRCMMUQRML-UHFFFAOYSA-N
XLogP1.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The IUPAC name of (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate (CID 145374339) is (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate.
What is the SMILES notation for (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The canonical SMILES for (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate is COc1nc(C(C)C)c(OC(C)=O)nc1C.
What is the InChIKey of (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
The InChIKey is RULGRRCMMUQRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)9-11(16-8(4)14)12-7(3)10(13-9)15-5/h6H,1-5H3.
What are the key properties of (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate?
(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate has a molecular weight of 224.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl) acetate is sourced from PubChem (CID 145374339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).