azane;diaminooxy(oxo)azanium

H7N4O3+ — CID 173233557

IUPACazane;diaminooxy(oxo)azanium
SMILESN.NO[N+](=O)ON
InChIInChI=1S/H4N3O3.H3N/c1-5-3(4)6-2;/h1-2H2;1H3/q+1;
InChIKeyHSEUYEOIMBPPAW-UHFFFAOYSA-N
MW111.08 g/mol
LogP-1.46
Rot. Bonds2

About azane;diaminooxy(oxo)azanium

azane;diaminooxy(oxo)azanium (PubChem CID 173233557) has the molecular formula H7N4O3+ and a molecular weight of 111.08 g/mol. Its IUPAC name is azane;diaminooxy(oxo)azanium.

Molecular Properties

Compound Nameazane;diaminooxy(oxo)azanium
PubChem CID173233557
Molecular FormulaH7N4O3+
Molecular Weight111.08 g/mol
Exact Mass111.05
IUPAC Nameazane;diaminooxy(oxo)azanium
SMILESN.NO[N+](=O)ON
InChIInChI=1S/H4N3O3.H3N/c1-5-3(4)6-2;/h1-2H2;1H3/q+1;
InChIKeyHSEUYEOIMBPPAW-UHFFFAOYSA-N
XLogP-1.46
TPSA125.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;diaminooxy(oxo)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;diaminooxy(oxo)azanium?
The IUPAC name of azane;diaminooxy(oxo)azanium (CID 173233557) is azane;diaminooxy(oxo)azanium.
What is the SMILES notation for azane;diaminooxy(oxo)azanium?
The canonical SMILES for azane;diaminooxy(oxo)azanium is N.NO[N+](=O)ON.
What is the InChIKey of azane;diaminooxy(oxo)azanium?
The InChIKey is HSEUYEOIMBPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N3O3.H3N/c1-5-3(4)6-2;/h1-2H2;1H3/q+1;.
What are the key properties of azane;diaminooxy(oxo)azanium?
azane;diaminooxy(oxo)azanium has a molecular weight of 111.08 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;diaminooxy(oxo)azanium is sourced from PubChem (CID 173233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).