2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide

C11H9BrN4OS — CID 136843026

IUPAC2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2cnccn2)cc1Br
InChIInChI=1S/C11H9BrN4OS/c12-9-5-7(1-2-8(9)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16)
InChIKeyIOCAEGIQEGAJPO-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.48
Rot. Bonds3

About 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide

2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide (PubChem CID 136843026) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide
PubChem CID136843026
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2cnccn2)cc1Br
InChIInChI=1S/C11H9BrN4OS/c12-9-5-7(1-2-8(9)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16)
InChIKeyIOCAEGIQEGAJPO-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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Related Compounds

5-bromo-N'-hydroxy-2-pyrazin-2-ylsulfanylbenzenecarboximidamide
CID 137004433
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
2-bromo-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 107279869
2-bromo-4-cyclopentylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107279873
N'-hydroxy-2-(pyrazin-2-ylsulfanylmethyl)benzenecarboximidamide
CID 76995892
ethyl 2-amino-5-pyrazin-2-ylsulfanylbenzoate
CID 63424120
2-bromo-N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanyl)benzenecarboximidamide
CID 107279897
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-bromo-N'-hydroxy-4-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 107279885
4-bromo-N'-hydroxy-2-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 114905123
5-bromo-4-fluoro-2-pyrazin-2-ylsulfanylaniline
CID 66110599
2-(2-amino-5-pyrazin-2-ylsulfanylphenyl)acetonitrile
CID 102625080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide (CID 136843026) is 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide is N/C(=N/O)c1ccc(Sc2cnccn2)cc1Br.
What is the InChIKey of 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is IOCAEGIQEGAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c12-9-5-7(1-2-8(9)11(13)16-17)18-10-6-14-3-4-15-10/h1-6,17H,(H2,13,16).
What are the key properties of 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide?
2-bromo-N'-hydroxy-4-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 2-bromo-N'-hydroxy-4-pyrazin-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 136843026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).