2-methoxy-5-methyl-3-propan-2-ylpyrazine

C9H14N2O — CID 15590168

IUPAC2-methoxy-5-methyl-3-propan-2-ylpyrazine
SMILESCOc1ncc(C)nc1C(C)C
InChIInChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3
InChIKeyNCKFIUKGRGDXBF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.92
Rot. Bonds2

About 2-methoxy-5-methyl-3-propan-2-ylpyrazine

2-methoxy-5-methyl-3-propan-2-ylpyrazine (PubChem CID 15590168) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-propan-2-ylpyrazine
PubChem CID15590168
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methoxy-5-methyl-3-propan-2-ylpyrazine
SMILESCOc1ncc(C)nc1C(C)C
InChIInChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3
InChIKeyNCKFIUKGRGDXBF-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-methoxy-5-methyl-3-propan-2-ylpyrazine (CID 15590168) is 2-methoxy-5-methyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-methoxy-5-methyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-methoxy-5-methyl-3-propan-2-ylpyrazine is COc1ncc(C)nc1C(C)C.
What is the InChIKey of 2-methoxy-5-methyl-3-propan-2-ylpyrazine?
The InChIKey is NCKFIUKGRGDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-9(12-4)10-5-7(3)11-8/h5-6H,1-4H3.
What are the key properties of 2-methoxy-5-methyl-3-propan-2-ylpyrazine?
2-methoxy-5-methyl-3-propan-2-ylpyrazine has a molecular weight of 166.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 15590168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).