3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide

C11H9FN4S — CID 55103276

IUPAC3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1ccccc1F
InChIInChI=1S/C11H9FN4S/c12-7-3-1-2-4-8(7)17-11-9(10(13)14)15-5-6-16-11/h1-6H,(H3,13,14)
InChIKeyOGXMTSHLLOXFLJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.05
Rot. Bonds3

About 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide

3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide (PubChem CID 55103276) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide
PubChem CID55103276
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1ccccc1F
InChIInChI=1S/C11H9FN4S/c12-7-3-1-2-4-8(7)17-11-9(10(13)14)15-5-6-16-11/h1-6H,(H3,13,14)
InChIKeyOGXMTSHLLOXFLJ-UHFFFAOYSA-N
XLogP2.05
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide (CID 55103276) is 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Sc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide?
The InChIKey is OGXMTSHLLOXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c12-7-3-1-2-4-8(7)17-11-9(10(13)14)15-5-6-16-11/h1-6H,(H3,13,14).
What are the key properties of 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide?
3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide has a molecular weight of 248.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 55103276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).