azanium;aminoazanium;dinitrate

H9N5O6 — CID 22104964

IUPACazanium;aminoazanium;dinitrate
SMILESN[NH3+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/H4N2.2NO3.H3N/c1-2;2*2-1(3)4;/h1-2H2;;;1H3/q;2*-1;/p+2
InChIKeyDKQUTWUPVJRACN-UHFFFAOYSA-P
MW175.10 g/mol
LogP-2.00
Rot. Bonds

About azanium;aminoazanium;dinitrate

azanium;aminoazanium;dinitrate (PubChem CID 22104964) has the molecular formula H9N5O6 and a molecular weight of 175.10 g/mol. Its IUPAC name is azanium;aminoazanium;dinitrate.

Molecular Properties

Compound Nameazanium;aminoazanium;dinitrate
PubChem CID22104964
Molecular FormulaH9N5O6
Molecular Weight175.10 g/mol
Exact Mass175.06
IUPAC Nameazanium;aminoazanium;dinitrate
SMILESN[NH3+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/H4N2.2NO3.H3N/c1-2;2*2-1(3)4;/h1-2H2;;;1H3/q;2*-1;/p+2
InChIKeyDKQUTWUPVJRACN-UHFFFAOYSA-P
XLogP-2.00
TPSA222.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze azanium;aminoazanium;dinitrate 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 azanium;aminoazanium;dinitrate?
The IUPAC name of azanium;aminoazanium;dinitrate (CID 22104964) is azanium;aminoazanium;dinitrate.
What is the SMILES notation for azanium;aminoazanium;dinitrate?
The canonical SMILES for azanium;aminoazanium;dinitrate is N[NH3+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;aminoazanium;dinitrate?
The InChIKey is DKQUTWUPVJRACN-UHFFFAOYSA-P. The full InChI is InChI=1S/H4N2.2NO3.H3N/c1-2;2*2-1(3)4;/h1-2H2;;;1H3/q;2*-1;/p+2.
What are the key properties of azanium;aminoazanium;dinitrate?
azanium;aminoazanium;dinitrate has a molecular weight of 175.10 g/mol, XLogP of -2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;aminoazanium;dinitrate is sourced from PubChem (CID 22104964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).