8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine

C11H14N2OS — CID 13494204

IUPAC8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine
SMILESCCOc1c(C)c(SC)n2ccncc12
InChIInChI=1S/C11H14N2OS/c1-4-14-10-8(2)11(15-3)13-6-5-12-7-9(10)13/h5-7H,4H2,1-3H3
InChIKeyMDRGZKCNJWGNLB-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.76
Rot. Bonds3

About 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine

8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine (PubChem CID 13494204) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine
PubChem CID13494204
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine
SMILESCCOc1c(C)c(SC)n2ccncc12
InChIInChI=1S/C11H14N2OS/c1-4-14-10-8(2)11(15-3)13-6-5-12-7-9(10)13/h5-7H,4H2,1-3H3
InChIKeyMDRGZKCNJWGNLB-UHFFFAOYSA-N
XLogP2.76
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine (CID 13494204) is 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine is CCOc1c(C)c(SC)n2ccncc12.
What is the InChIKey of 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The InChIKey is MDRGZKCNJWGNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-14-10-8(2)11(15-3)13-6-5-12-7-9(10)13/h5-7H,4H2,1-3H3.
What are the key properties of 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine has a molecular weight of 222.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-methyl-6-methylsulfanylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 13494204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).