5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole

C3H3N3O2 — CID 11434928

IUPAC5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole
SMILESO=[15N+]([O-])c1cnc[nH]1
InChIInChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)/i6+1
InChIKeyVYDWQPKRHOGLPA-PTQBSOBMSA-N
MW114.07 g/mol
LogP0.32
Rot. Bonds1

About 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole

5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole (PubChem CID 11434928) has the molecular formula C3H3N3O2 and a molecular weight of 114.07 g/mol. Its IUPAC name is 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole.

Molecular Properties

Compound Name5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole
PubChem CID11434928
Molecular FormulaC3H3N3O2
Molecular Weight114.07 g/mol
Exact Mass114.02
IUPAC Name5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole
SMILESO=[15N+]([O-])c1cnc[nH]1
InChIInChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)/i6+1
InChIKeyVYDWQPKRHOGLPA-PTQBSOBMSA-N
XLogP0.32
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 50.32
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole?
The IUPAC name of 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole (CID 11434928) is 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole.
What is the SMILES notation for 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole?
The canonical SMILES for 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole is O=[15N+]([O-])c1cnc[nH]1.
What is the InChIKey of 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole?
The InChIKey is VYDWQPKRHOGLPA-PTQBSOBMSA-N. The full InChI is InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)/i6+1.
What are the key properties of 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole?
5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole has a molecular weight of 114.07 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole is sourced from PubChem (CID 11434928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).