3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide

C11H9F2N5OS — CID 89475061

IUPAC3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(S(=O)c2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C11H9F2N5OS/c12-5-1-6(13)3-7(2-5)20(19)8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17)
InChIKeyADYZSQLZFHWUEN-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide

3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide (PubChem CID 89475061) has the molecular formula C11H9F2N5OS and a molecular weight of 297.29 g/mol. Its IUPAC name is 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide
PubChem CID89475061
Molecular FormulaC11H9F2N5OS
Molecular Weight297.29 g/mol
Exact Mass297.05
IUPAC Name3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nc(S(=O)c2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C11H9F2N5OS/c12-5-1-6(13)3-7(2-5)20(19)8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17)
InChIKeyADYZSQLZFHWUEN-UHFFFAOYSA-N
XLogP0.79
TPSA118.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide?
The IUPAC name of 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide (CID 89475061) is 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide?
The canonical SMILES for 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nc(S(=O)c2cc(F)cc(F)c2)cnc1N.
What is the InChIKey of 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide?
The InChIKey is ADYZSQLZFHWUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5OS/c12-5-1-6(13)3-7(2-5)20(19)8-4-17-11(16)9(18-8)10(14)15/h1-4H,(H3,14,15)(H2,16,17).
What are the key properties of 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide?
3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide has a molecular weight of 297.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,5-difluorophenyl)sulfinylpyrazine-2-carboximidamide is sourced from PubChem (CID 89475061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).