carbamoylazanium;oxalate

C4H10N4O6 — CID 135764617

IUPACcarbamoylazanium;oxalate
SMILESNC([NH3+])=O.NC([NH3+])=O.O=C([O-])C(=O)[O-]
InChIInChI=1S/C2H2O4.2CH4N2O/c3-1(4)2(5)6;2*2-1(3)4/h(H,3,4)(H,5,6);2*(H4,2,3,4)
InChIKeyFHNVHAXLRLSCAN-UHFFFAOYSA-N
MW210.15 g/mol
LogP-6.90
Rot. Bonds

About carbamoylazanium;oxalate

carbamoylazanium;oxalate (PubChem CID 135764617) has the molecular formula C4H10N4O6 and a molecular weight of 210.15 g/mol. Its IUPAC name is carbamoylazanium;oxalate.

Molecular Properties

Compound Namecarbamoylazanium;oxalate
PubChem CID135764617
Molecular FormulaC4H10N4O6
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Namecarbamoylazanium;oxalate
SMILESNC([NH3+])=O.NC([NH3+])=O.O=C([O-])C(=O)[O-]
InChIInChI=1S/C2H2O4.2CH4N2O/c3-1(4)2(5)6;2*2-1(3)4/h(H,3,4)(H,5,6);2*(H4,2,3,4)
InChIKeyFHNVHAXLRLSCAN-UHFFFAOYSA-N
XLogP-6.90
TPSA221.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-6.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbamoylazanium
CID 59101662
dipotassium;hydrazine;oxalate;hydrochloride
CID 174942034
carbamoylazanium;bromide;hydrobromide
CID 137219787
dipotassium;hydrazine;oxalate;dihydrochloride
CID 174942988
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
oxalate;rhodium(2+)
CID 22015935
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
cesium oxalate
CID 53436195
oxalate;silicon(4+)
CID 19840044
diazanium;oxalate
CID 14213

Frequently Asked Questions

What is the IUPAC name of carbamoylazanium;oxalate?
The IUPAC name of carbamoylazanium;oxalate (CID 135764617) is carbamoylazanium;oxalate.
What is the SMILES notation for carbamoylazanium;oxalate?
The canonical SMILES for carbamoylazanium;oxalate is NC([NH3+])=O.NC([NH3+])=O.O=C([O-])C(=O)[O-].
What is the InChIKey of carbamoylazanium;oxalate?
The InChIKey is FHNVHAXLRLSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2CH4N2O/c3-1(4)2(5)6;2*2-1(3)4/h(H,3,4)(H,5,6);2*(H4,2,3,4).
What are the key properties of carbamoylazanium;oxalate?
carbamoylazanium;oxalate has a molecular weight of 210.15 g/mol, XLogP of -6.90, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylazanium;oxalate is sourced from PubChem (CID 135764617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).