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

C10H12N2OS — CID 13494206

IUPAC8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine
SMILESCCOc1cc(SC)n2ccncc12
InChIInChI=1S/C10H12N2OS/c1-3-13-9-6-10(14-2)12-5-4-11-7-8(9)12/h4-7H,3H2,1-2H3
InChIKeyHFXXGGLTERWKCG-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.45
Rot. Bonds3

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

8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine (PubChem CID 13494206) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine
PubChem CID13494206
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine
SMILESCCOc1cc(SC)n2ccncc12
InChIInChI=1S/C10H12N2OS/c1-3-13-9-6-10(14-2)12-5-4-11-7-8(9)12/h4-7H,3H2,1-2H3
InChIKeyHFXXGGLTERWKCG-UHFFFAOYSA-N
XLogP2.45
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Ethoxy-7-methyl-6-methylsulfanyl-pyrrolo[1,2-a]pyrazine
CID 13494204
3-Methoxy-2-methylthio-1-phenylpyrrole
CID 4076362
3-Ethoxy-1-(3-fluorophenyl)-2-methylsulfanylpyrrole
CID 10610768
3-Ethoxy-1-(4-fluorophenyl)-2-methylsulfanylpyrrole
CID 10658400
2-Propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole
CID 70329699
7-Methoxy-[1,3]thiazolo[5,4-b]pyridine
CID 90742158
[1,3]Thiazolo[5,4-b]pyridin-7-yl 2-methylpropanoate
CID 141381296
Pyrrolo[1,2-a]pyrazin-8-yl acetate
CID 152099811
Butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate
CID 173029234
Pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride
CID 175270706
3-Ethoxy-2-methylsulfanyl-1-phenylpyrrole
CID 3699542
8-Ethoxy-7-methylpyrrolo[1,2-a]pyrazine
CID 13494209

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine (CID 13494206) is 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine is CCOc1cc(SC)n2ccncc12.
What is the InChIKey of 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
The InChIKey is HFXXGGLTERWKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-13-9-6-10(14-2)12-5-4-11-7-8(9)12/h4-7H,3H2,1-2H3.
What are the key properties of 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine?
8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine has a molecular weight of 208.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-6-methylsulfanylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 13494206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).