potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide

C5H6KN4O4+ — CID 23675502

IUPACpotassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NO.[K+]
InChIInChI=1S/C5H6N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2,11H,3H2,(H,7,10);/q;+1
InChIKeyMINJCLOSTYLOID-UHFFFAOYSA-N
MW225.22 g/mol
LogP-3.70
Rot. Bonds3

About potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide

potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 23675502) has the molecular formula C5H6KN4O4+ and a molecular weight of 225.22 g/mol. Its IUPAC name is potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound Namepotassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID23675502
Molecular FormulaC5H6KN4O4+
Molecular Weight225.22 g/mol
Exact Mass225.00
IUPAC Namepotassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])NO.[K+]
InChIInChI=1S/C5H6N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2,11H,3H2,(H,7,10);/q;+1
InChIKeyMINJCLOSTYLOID-UHFFFAOYSA-N
XLogP-3.70
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 20667794
N-(2,3-dimethylbut-2-enyl)-2-(2-nitroimidazol-1-yl)acetamide
CID 58672080
N-[(Z)-2,3-difluorobut-2-enyl]-2-(2-nitroimidazol-1-yl)acetamide
CID 148887354
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-penta(18F)fluoropropyl)acetamide
CID 112500504
1-ethyl-2-nitroimidazole
CID 19802537
2-(2-nitroimidazol-1-yl)ethanimidamide
CID 121403945
1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-one
CID 22904731
methyl 3-(2-nitroimidazol-1-yl)propanoate
CID 15749951
(2,5-dihydroxypyrrol-1-yl) 2-(2-nitroimidazol-1-yl)acetate
CID 91000221
1-(2-chloroethoxy)-3-(2-nitroimidazol-1-yl)propan-2-one
CID 154089449
1-(2-nitroimidazol-1-yl)-4-phenylbutan-2-one;hydrochloride
CID 67157777
N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine
CID 3476907

Frequently Asked Questions

What is the IUPAC name of potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide (CID 23675502) is potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])NO.[K+].
What is the InChIKey of potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is MINJCLOSTYLOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O4.K/c10-4(7-11)3-8-2-1-6-5(8)9(12)13;/h1-2,11H,3H2,(H,7,10);/q;+1.
What are the key properties of potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide?
potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 225.22 g/mol, XLogP of -3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-hydroxy-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 23675502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).