tetraazanium;oxalate;carbonate

C3H16N4O7 — CID 141480111

IUPACtetraazanium;oxalate;carbonate
SMILESO=C([O-])C(=O)[O-].O=C([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.CH2O3.4H3N/c3-1(4)2(5)6;2-1(3)4;;;;/h(H,3,4)(H,5,6);(H2,2,3,4);4*1H3
InChIKeyPVXKGZUYXXYHEC-UHFFFAOYSA-N
MW220.18 g/mol
LogP-4.46
Rot. Bonds

About tetraazanium;oxalate;carbonate

tetraazanium;oxalate;carbonate (PubChem CID 141480111) has the molecular formula C3H16N4O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is tetraazanium;oxalate;carbonate.

Molecular Properties

Compound Nametetraazanium;oxalate;carbonate
PubChem CID141480111
Molecular FormulaC3H16N4O7
Molecular Weight220.18 g/mol
Exact Mass220.10
IUPAC Nametetraazanium;oxalate;carbonate
SMILESO=C([O-])C(=O)[O-].O=C([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.CH2O3.4H3N/c3-1(4)2(5)6;2-1(3)4;;;;/h(H,3,4)(H,5,6);(H2,2,3,4);4*1H3
InChIKeyPVXKGZUYXXYHEC-UHFFFAOYSA-N
XLogP-4.46
TPSA289.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-4.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diazanium;oxalate
CID 14213
tetraazanium oxalate
CID 22167731
azanium;oxalate;zirconium
CID 87076848
bis(nickel(2+));oxalate;carbonate
CID 173301316
azanium;barium(2+);oxalate;chloride
CID 162639609
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
oxalate;bis(ruthenium(3+))
CID 57371303
diazanium;zirconium;carbonate
CID 174529437
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
dipotassium;disodium;dicarbonate
CID 23505264
oxalate;platinum(2+)
CID 22066175

Frequently Asked Questions

What is the IUPAC name of tetraazanium;oxalate;carbonate?
The IUPAC name of tetraazanium;oxalate;carbonate (CID 141480111) is tetraazanium;oxalate;carbonate.
What is the SMILES notation for tetraazanium;oxalate;carbonate?
The canonical SMILES for tetraazanium;oxalate;carbonate is O=C([O-])C(=O)[O-].O=C([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;oxalate;carbonate?
The InChIKey is PVXKGZUYXXYHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.CH2O3.4H3N/c3-1(4)2(5)6;2-1(3)4;;;;/h(H,3,4)(H,5,6);(H2,2,3,4);4*1H3.
What are the key properties of tetraazanium;oxalate;carbonate?
tetraazanium;oxalate;carbonate has a molecular weight of 220.18 g/mol, XLogP of -4.46, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;oxalate;carbonate is sourced from PubChem (CID 141480111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).