3-chloro-N'-hydroxypyrazine-2-carboximidamide

C5H5ClN4O — CID 135742050

IUPAC3-chloro-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N/O)c1nccnc1Cl
InChIInChI=1S/C5H5ClN4O/c6-4-3(5(7)10-11)8-1-2-9-4/h1-2,11H,(H2,7,10)
InChIKeyIRYAXNYRTXTVBK-UHFFFAOYSA-N
MW172.58 g/mol
LogP0.22
Rot. Bonds1

About 3-chloro-N'-hydroxypyrazine-2-carboximidamide

3-chloro-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 135742050) has the molecular formula C5H5ClN4O and a molecular weight of 172.58 g/mol. Its IUPAC name is 3-chloro-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxypyrazine-2-carboximidamide
PubChem CID135742050
Molecular FormulaC5H5ClN4O
Molecular Weight172.58 g/mol
Exact Mass172.02
IUPAC Name3-chloro-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N/O)c1nccnc1Cl
InChIInChI=1S/C5H5ClN4O/c6-4-3(5(7)10-11)8-1-2-9-4/h1-2,11H,(H2,7,10)
InChIKeyIRYAXNYRTXTVBK-UHFFFAOYSA-N
XLogP0.22
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 50.22
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N',3-N'-dihydroxypyrazine-2,3-dicarboximidamide
CID 135525948
5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085334
5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085301
3-chloropyrazine-2-carbonyl chloride
CID 15644194
3-(hydrazinylmethylideneamino)-N'-hydroxypyrazine-2-carboximidamide
CID 137263611
N'-hydroxy-3-phenylsulfanylpyrazine-2-carboximidamide
CID 172625571
N'-hydroxy-5,7-dimethylisoquinoline-1-carboximidamide
CID 137085329
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 136914221
N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide
CID 165442259
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide
CID 136868262
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxypyrazine-2-carboximidamide (CID 135742050) is 3-chloro-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxypyrazine-2-carboximidamide is N/C(=N/O)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is IRYAXNYRTXTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O/c6-4-3(5(7)10-11)8-1-2-9-4/h1-2,11H,(H2,7,10).
What are the key properties of 3-chloro-N'-hydroxypyrazine-2-carboximidamide?
3-chloro-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 172.58 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 135742050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).