azanium;cerium(4+);pentanitrite

H4CeN6O10 — CID 22721316

IUPACazanium;cerium(4+);pentanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ce+4].[NH4+]
InChIInChI=1S/Ce.5HNO2.H3N/c;5*2-1-3;/h;5*(H,2,3);1H3/q+4;;;;;;/p-4
InChIKeyGSESCSFGTBJFHI-UHFFFAOYSA-J
MW388.18 g/mol
LogP1.63
Rot. Bonds

About azanium;cerium(4+);pentanitrite

azanium;cerium(4+);pentanitrite (PubChem CID 22721316) has the molecular formula H4CeN6O10 and a molecular weight of 388.18 g/mol. Its IUPAC name is azanium;cerium(4+);pentanitrite.

Molecular Properties

Compound Nameazanium;cerium(4+);pentanitrite
PubChem CID22721316
Molecular FormulaH4CeN6O10
Molecular Weight388.18 g/mol
Exact Mass387.90
IUPAC Nameazanium;cerium(4+);pentanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ce+4].[NH4+]
InChIInChI=1S/Ce.5HNO2.H3N/c;5*2-1-3;/h;5*(H,2,3);1H3/q+4;;;;;;/p-4
InChIKeyGSESCSFGTBJFHI-UHFFFAOYSA-J
XLogP1.63
TPSA298.95 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;cerium(4+);pentanitrite?
The IUPAC name of azanium;cerium(4+);pentanitrite (CID 22721316) is azanium;cerium(4+);pentanitrite.
What is the SMILES notation for azanium;cerium(4+);pentanitrite?
The canonical SMILES for azanium;cerium(4+);pentanitrite is O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ce+4].[NH4+].
What is the InChIKey of azanium;cerium(4+);pentanitrite?
The InChIKey is GSESCSFGTBJFHI-UHFFFAOYSA-J. The full InChI is InChI=1S/Ce.5HNO2.H3N/c;5*2-1-3;/h;5*(H,2,3);1H3/q+4;;;;;;/p-4.
What are the key properties of azanium;cerium(4+);pentanitrite?
azanium;cerium(4+);pentanitrite has a molecular weight of 388.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;cerium(4+);pentanitrite is sourced from PubChem (CID 22721316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).