3-methoxy-2-methyl-5-propylpyrazine

C9H14N2O — CID 154131793

IUPAC3-methoxy-2-methyl-5-propylpyrazine
SMILESCCCc1cnc(C)c(OC)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-10-7(2)9(11-8)12-3/h6H,4-5H2,1-3H3
InChIKeyFYOYCVZICILIAI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About 3-methoxy-2-methyl-5-propylpyrazine

3-methoxy-2-methyl-5-propylpyrazine (PubChem CID 154131793) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-propylpyrazine.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-propylpyrazine
PubChem CID154131793
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-methoxy-2-methyl-5-propylpyrazine
SMILESCCCc1cnc(C)c(OC)n1
InChIInChI=1S/C9H14N2O/c1-4-5-8-6-10-7(2)9(11-8)12-3/h6H,4-5H2,1-3H3
InChIKeyFYOYCVZICILIAI-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-propylpyrazine?
The IUPAC name of 3-methoxy-2-methyl-5-propylpyrazine (CID 154131793) is 3-methoxy-2-methyl-5-propylpyrazine.
What is the SMILES notation for 3-methoxy-2-methyl-5-propylpyrazine?
The canonical SMILES for 3-methoxy-2-methyl-5-propylpyrazine is CCCc1cnc(C)c(OC)n1.
What is the InChIKey of 3-methoxy-2-methyl-5-propylpyrazine?
The InChIKey is FYOYCVZICILIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-6-10-7(2)9(11-8)12-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-5-propylpyrazine?
3-methoxy-2-methyl-5-propylpyrazine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-propylpyrazine is sourced from PubChem (CID 154131793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).