5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide

C11H9BrN4OS — CID 137004433

IUPAC5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Sc1cnccn1
InChIInChI=1S/C11H9BrN4OS/c12-7-1-2-9(8(5-7)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16)
InChIKeyLIZKZYPWHJOPIE-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.48
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide

5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide (PubChem CID 137004433) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
PubChem CID137004433
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1cc(Br)ccc1Sc1cnccn1
InChIInChI=1S/C11H9BrN4OS/c12-7-1-2-9(8(5-7)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16)
InChIKeyLIZKZYPWHJOPIE-UHFFFAOYSA-N
XLogP2.48
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide (CID 137004433) is 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide is N/C(=N/O)c1cc(Br)ccc1Sc1cnccn1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is LIZKZYPWHJOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c12-7-1-2-9(8(5-7)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16).
What are the key properties of 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide?
5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 325.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 137004433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).