diazanium;oxalate

C2H8N2O4 — CID 14213

IUPACdiazanium;oxalate
SMILESO=C([O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
InChIKeyVBIXEXWLHSRNKB-UHFFFAOYSA-N
MW124.10 g/mol
LogP-2.76
Rot. Bonds

About diazanium;oxalate

diazanium;oxalate (PubChem CID 14213) has the molecular formula C2H8N2O4 and a molecular weight of 124.10 g/mol. Its IUPAC name is diazanium;oxalate.

Molecular Properties

Compound Namediazanium;oxalate
PubChem CID14213
Molecular FormulaC2H8N2O4
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Namediazanium;oxalate
SMILESO=C([O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
InChIKeyVBIXEXWLHSRNKB-UHFFFAOYSA-N
XLogP-2.76
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-2.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tetraazanium oxalate
CID 22167731
azanium;oxalate;zirconium
CID 87076848
tetraazanium;oxalate;carbonate
CID 141480111
azanium;barium(2+);oxalate;chloride
CID 162639609
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
oxalate;bis(ruthenium(3+))
CID 57371303
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
oxalate;silicon(4+)
CID 19840044
cesium oxalate
CID 53436195
oxalate;platinum(2+)
CID 22066175

Frequently Asked Questions

What is the IUPAC name of diazanium;oxalate?
The IUPAC name of diazanium;oxalate (CID 14213) is diazanium;oxalate.
What is the SMILES notation for diazanium;oxalate?
The canonical SMILES for diazanium;oxalate is O=C([O-])C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;oxalate?
The InChIKey is VBIXEXWLHSRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3.
What are the key properties of diazanium;oxalate?
diazanium;oxalate has a molecular weight of 124.10 g/mol, XLogP of -2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;oxalate is sourced from PubChem (CID 14213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).