tetraazanium oxalate

C4H16N4O8 — CID 22167731

IUPACtetraazanium oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H2O4.4H3N/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);4*1H3
InChIKeySERHNBYDRHYCNM-UHFFFAOYSA-N
MW248.19 g/mol
LogP-5.52
Rot. Bonds

About tetraazanium oxalate

tetraazanium oxalate (PubChem CID 22167731) has the molecular formula C4H16N4O8 and a molecular weight of 248.19 g/mol. Its IUPAC name is tetraazanium oxalate.

Molecular Properties

Compound Nametetraazanium oxalate
PubChem CID22167731
Molecular FormulaC4H16N4O8
Molecular Weight248.19 g/mol
Exact Mass248.10
IUPAC Nametetraazanium oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/2C2H2O4.4H3N/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);4*1H3
InChIKeySERHNBYDRHYCNM-UHFFFAOYSA-N
XLogP-5.52
TPSA306.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-5.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

diazanium;oxalate
CID 14213
tetraazanium;oxalate;carbonate
CID 141480111
azanium;oxalate;zirconium
CID 87076848
azanium;barium(2+);oxalate;chloride
CID 162639609
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
oxalate;bis(ruthenium(3+))
CID 57371303
oxalate;platinum(2+)
CID 22066175
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
cesium oxalate
CID 53436195
oxalate;silicon(4+)
CID 19840044

Frequently Asked Questions

What is the IUPAC name of tetraazanium oxalate?
The IUPAC name of tetraazanium oxalate (CID 22167731) is tetraazanium oxalate.
What is the SMILES notation for tetraazanium oxalate?
The canonical SMILES for tetraazanium oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium oxalate?
The InChIKey is SERHNBYDRHYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O4.4H3N/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);4*1H3.
What are the key properties of tetraazanium oxalate?
tetraazanium oxalate has a molecular weight of 248.19 g/mol, XLogP of -5.52, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium oxalate is sourced from PubChem (CID 22167731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).