[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C10H11FN4OS — CID 126605734

IUPAC[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCCNC(=O)c1cn(SF)c2ncc(C)nc12
InChIInChI=1S/C10H11FN4OS/c1-3-12-10(16)7-5-15(17-11)9-8(7)14-6(2)4-13-9/h4-5H,3H2,1-2H3,(H,12,16)
InChIKeyMKOPGJRACGKKGI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.87
Rot. Bonds3

About [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 126605734) has the molecular formula C10H11FN4OS and a molecular weight of 254.29 g/mol. Its IUPAC name is [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID126605734
Molecular FormulaC10H11FN4OS
Molecular Weight254.29 g/mol
Exact Mass254.06
IUPAC Name[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCCNC(=O)c1cn(SF)c2ncc(C)nc12
InChIInChI=1S/C10H11FN4OS/c1-3-12-10(16)7-5-15(17-11)9-8(7)14-6(2)4-13-9/h4-5H,3H2,1-2H3,(H,12,16)
InChIKeyMKOPGJRACGKKGI-UHFFFAOYSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 126605734) is [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CCNC(=O)c1cn(SF)c2ncc(C)nc12.
What is the InChIKey of [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is MKOPGJRACGKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4OS/c1-3-12-10(16)7-5-15(17-11)9-8(7)14-6(2)4-13-9/h4-5H,3H2,1-2H3,(H,12,16).
What are the key properties of [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 254.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 126605734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).