azanium;phosphanium;dinitrate

H8N3O6P — CID 172693026

IUPACazanium;phosphanium;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+].[PH4+]
InChIInChI=1S/2NO3.H3N.H3P/c2*2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2
InChIKeyBYAWLHJHMOXORE-UHFFFAOYSA-P
MW177.05 g/mol
LogP-0.31
Rot. Bonds

About azanium;phosphanium;dinitrate

azanium;phosphanium;dinitrate (PubChem CID 172693026) has the molecular formula H8N3O6P and a molecular weight of 177.05 g/mol. Its IUPAC name is azanium;phosphanium;dinitrate.

Molecular Properties

Compound Nameazanium;phosphanium;dinitrate
PubChem CID172693026
Molecular FormulaH8N3O6P
Molecular Weight177.05 g/mol
Exact Mass177.02
IUPAC Nameazanium;phosphanium;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+].[PH4+]
InChIInChI=1S/2NO3.H3N.H3P/c2*2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2
InChIKeyBYAWLHJHMOXORE-UHFFFAOYSA-P
XLogP-0.31
TPSA168.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azanium;phosphanium;dinitrate with MolForge

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

Launch Full Analysis

Related Compounds

azanium;gadolinium;nitrate
CID 174958053
Ammonium calcium nitrate
CID 57348786
azanium;cerium;dinitrate
CID 158195246
diazanium;copper;tetranitrate
CID 172846491
azanium;silver;dinitrate
CID 23638970
diazanium;cerium(4+);hexanitrate;hexahydrate
CID 153426057
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999
aluminum trinitrate
CID 26053

Frequently Asked Questions

What is the IUPAC name of azanium;phosphanium;dinitrate?
The IUPAC name of azanium;phosphanium;dinitrate (CID 172693026) is azanium;phosphanium;dinitrate.
What is the SMILES notation for azanium;phosphanium;dinitrate?
The canonical SMILES for azanium;phosphanium;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH4+].[PH4+].
What is the InChIKey of azanium;phosphanium;dinitrate?
The InChIKey is BYAWLHJHMOXORE-UHFFFAOYSA-P. The full InChI is InChI=1S/2NO3.H3N.H3P/c2*2-1(3)4;;/h;;2*1H3/q2*-1;;/p+2.
What are the key properties of azanium;phosphanium;dinitrate?
azanium;phosphanium;dinitrate has a molecular weight of 177.05 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;phosphanium;dinitrate is sourced from PubChem (CID 172693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).