potassium 2-nitro-1H-imidazole

C3H3KN3O2+ — CID 23707816

IUPACpotassium 2-nitro-1H-imidazole
SMILESO=[N+]([O-])c1ncc[nH]1.[K+]
InChIInChI=1S/C3H3N3O2.K/c7-6(8)3-4-1-2-5-3;/h1-2H,(H,4,5);/q;+1
InChIKeyFWZLQUJWLXPURD-UHFFFAOYSA-N
MW152.17 g/mol
LogP-2.68
Rot. Bonds1

About potassium 2-nitro-1H-imidazole

potassium 2-nitro-1H-imidazole (PubChem CID 23707816) has the molecular formula C3H3KN3O2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is potassium 2-nitro-1H-imidazole.

Molecular Properties

Compound Namepotassium 2-nitro-1H-imidazole
PubChem CID23707816
Molecular FormulaC3H3KN3O2+
Molecular Weight152.17 g/mol
Exact Mass151.99
IUPAC Namepotassium 2-nitro-1H-imidazole
SMILESO=[N+]([O-])c1ncc[nH]1.[K+]
InChIInChI=1S/C3H3N3O2.K/c7-6(8)3-4-1-2-5-3;/h1-2H,(H,4,5);/q;+1
InChIKeyFWZLQUJWLXPURD-UHFFFAOYSA-N
XLogP-2.68
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 potassium 2-nitro-1H-imidazole?
The IUPAC name of potassium 2-nitro-1H-imidazole (CID 23707816) is potassium 2-nitro-1H-imidazole.
What is the SMILES notation for potassium 2-nitro-1H-imidazole?
The canonical SMILES for potassium 2-nitro-1H-imidazole is O=[N+]([O-])c1ncc[nH]1.[K+].
What is the InChIKey of potassium 2-nitro-1H-imidazole?
The InChIKey is FWZLQUJWLXPURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2.K/c7-6(8)3-4-1-2-5-3;/h1-2H,(H,4,5);/q;+1.
What are the key properties of potassium 2-nitro-1H-imidazole?
potassium 2-nitro-1H-imidazole has a molecular weight of 152.17 g/mol, XLogP of -2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-nitro-1H-imidazole is sourced from PubChem (CID 23707816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).