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Pyrazine-2-amidoxime

CAT: 0804-HY-W031471A-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W031471A-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyrazine-2-amidoxime is a structural analogue of pyrazine-2-carboxamide with antimicrobial activity. Pyrazine-2-amidoxime shows killing and inhibiting properties against Candida albicans, fungal pathogen and Gram-positive bacteria[1].
CAS Number
51285-05-3
UNSPSC
12352005
Hazard Statement
H301, H315, H318, H335
Target
Bacterial; Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Purity
99.90
Solubility
H2O : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N=C(C1=NC=CN=C1)NO
Molecular Formula
C5H6N4O
Molecular Weight
138.13
Precautions
H301, H315, H318, H335
References & Citations
[1]Chylewska A, et al. Drug-like properties and complete physicochemical profile of pyrazine‑2‑amidoxime: A combined multi-experimental and computational studies[J]. Journal of Molecular Liquids, 2019, 276: 453-470.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N'-hydroxypyrazine-2-carboximidamide
CAS Number51285-05-3
PubChem CID135544955
IUPAC NameN'-hydroxypyrazine-2-carboximidamide
Molecular FormulaC5H6N4O
Molecular Weight138.13
XLogP-0.3
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=CN=C(C=N1)/C(=N/O)/N
InChI
InChI=1S/C5H6N4O/c6-5(9-10)4-3-7-1-2-8-4/h1-3,10H,(H2,6,9)
InChIKey
QZHJCRJEMIFNNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-hydroxypyrazine-2-carboximidamide
CAS: 51285-05-3
CID: 135544955
Formula: C5H6N4O
MW: 138.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.13
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass138.05416083
Monoisotopic Mass138.05416083
Topological Polar Surface Area84.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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