oxoazanium dinitrate

H4N4O8 — CID 172797992

IUPACoxoazanium dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH2+]=O.[NH2+]=O
InChIInChI=1S/2NO3.2H2NO/c2*2-1(3)4;2*1-2/h;;2*1H2/q2*-1;2*+1
InChIKeyQLWYWNNXXZZAIK-UHFFFAOYSA-N
MW188.05 g/mol
LogP-3.45
Rot. Bonds

About oxoazanium dinitrate

oxoazanium dinitrate (PubChem CID 172797992) has the molecular formula H4N4O8 and a molecular weight of 188.05 g/mol. Its IUPAC name is oxoazanium dinitrate.

Molecular Properties

Compound Nameoxoazanium dinitrate
PubChem CID172797992
Molecular FormulaH4N4O8
Molecular Weight188.05 g/mol
Exact Mass188.00
IUPAC Nameoxoazanium dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH2+]=O.[NH2+]=O
InChIInChI=1S/2NO3.2H2NO/c2*2-1(3)4;2*1-2/h;;2*1H2/q2*-1;2*+1
InChIKeyQLWYWNNXXZZAIK-UHFFFAOYSA-N
XLogP-3.45
TPSA217.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 5-3.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

europium(3+) trinitrate
CID 24983
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
aluminum trinitrate
CID 26053
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999
samarium trinitrate
CID 21321193
gold dinitrate
CID 161234525
zinc dinitrate
CID 24518
bis(osmium(4+));octanitrate
CID 158143113
palladium(2+) nitrate
CID 15793330

Frequently Asked Questions

What is the IUPAC name of oxoazanium dinitrate?
The IUPAC name of oxoazanium dinitrate (CID 172797992) is oxoazanium dinitrate.
What is the SMILES notation for oxoazanium dinitrate?
The canonical SMILES for oxoazanium dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH2+]=O.[NH2+]=O.
What is the InChIKey of oxoazanium dinitrate?
The InChIKey is QLWYWNNXXZZAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2NO3.2H2NO/c2*2-1(3)4;2*1-2/h;;2*1H2/q2*-1;2*+1.
What are the key properties of oxoazanium dinitrate?
oxoazanium dinitrate has a molecular weight of 188.05 g/mol, XLogP of -3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxoazanium dinitrate is sourced from PubChem (CID 172797992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).