diazanium;oxido carbonate

CH8N2O4 — CID 22665386

IUPACdiazanium;oxido carbonate
SMILESO=C([O-])O[O-].[NH4+].[NH4+]
InChIInChI=1S/CH2O4.2H3N/c2-1(3)5-4;;/h4H,(H,2,3);2*1H3
InChIKeyKTBRZOLLRLLIOA-UHFFFAOYSA-N
MW112.08 g/mol
LogP-1.63
Rot. Bonds

About diazanium;oxido carbonate

diazanium;oxido carbonate (PubChem CID 22665386) has the molecular formula CH8N2O4 and a molecular weight of 112.08 g/mol. Its IUPAC name is diazanium;oxido carbonate.

Molecular Properties

Compound Namediazanium;oxido carbonate
PubChem CID22665386
Molecular FormulaCH8N2O4
Molecular Weight112.08 g/mol
Exact Mass112.05
IUPAC Namediazanium;oxido carbonate
SMILESO=C([O-])O[O-].[NH4+].[NH4+]
InChIInChI=1S/CH2O4.2H3N/c2-1(3)5-4;;/h4H,(H,2,3);2*1H3
InChIKeyKTBRZOLLRLLIOA-UHFFFAOYSA-N
XLogP-1.63
TPSA145.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dioxouranium(2+);oxido carbonate
CID 173079564
potassium;tetrasodium;ethaneperoxoate;oxido carbonate
CID 173182739
bis(lanthanum(3+));oxido hydrogen carbonate;carbonate
CID 159767634
disodium;oxido carbonate;phenol
CID 173289106
diazanium;oxalate
CID 14213
calcium;ruthenium;carbonate
CID 87309849
azanium;uranium(2+);carbonate
CID 21149382
diazanium;zirconium;carbonate
CID 174529437
pentaazanium;hydrogen carbonate
CID 159428979
tetraazanium oxalate
CID 22167731
azanium;holmium(3+);dicarbonate
CID 155670937
carboxylato carbonate;thorium(2+)
CID 21149383

Frequently Asked Questions

What is the IUPAC name of diazanium;oxido carbonate?
The IUPAC name of diazanium;oxido carbonate (CID 22665386) is diazanium;oxido carbonate.
What is the SMILES notation for diazanium;oxido carbonate?
The canonical SMILES for diazanium;oxido carbonate is O=C([O-])O[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;oxido carbonate?
The InChIKey is KTBRZOLLRLLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O4.2H3N/c2-1(3)5-4;;/h4H,(H,2,3);2*1H3.
What are the key properties of diazanium;oxido carbonate?
diazanium;oxido carbonate has a molecular weight of 112.08 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;oxido carbonate is sourced from PubChem (CID 22665386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).