cerium;diaminooxy(oxo)azanium

H4CeN3O3+ — CID 173297346

IUPACcerium;diaminooxy(oxo)azanium
SMILESNO[N+](=O)ON.[Ce]
InChIInChI=1S/Ce.H4N3O3/c;1-5-3(4)6-2/h;1-2H2/q;+1
InChIKeyNGCNSERAWMOWJB-UHFFFAOYSA-N
MW234.17 g/mol
LogP-1.62
Rot. Bonds2

About cerium;diaminooxy(oxo)azanium

cerium;diaminooxy(oxo)azanium (PubChem CID 173297346) has the molecular formula H4CeN3O3+ and a molecular weight of 234.17 g/mol. Its IUPAC name is cerium;diaminooxy(oxo)azanium.

Molecular Properties

Compound Namecerium;diaminooxy(oxo)azanium
PubChem CID173297346
Molecular FormulaH4CeN3O3+
Molecular Weight234.17 g/mol
Exact Mass233.93
IUPAC Namecerium;diaminooxy(oxo)azanium
SMILESNO[N+](=O)ON.[Ce]
InChIInChI=1S/Ce.H4N3O3/c;1-5-3(4)6-2/h;1-2H2/q;+1
InChIKeyNGCNSERAWMOWJB-UHFFFAOYSA-N
XLogP-1.62
TPSA90.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 173313394
CID 173313394
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CID 173325235
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Frequently Asked Questions

What is the IUPAC name of cerium;diaminooxy(oxo)azanium?
The IUPAC name of cerium;diaminooxy(oxo)azanium (CID 173297346) is cerium;diaminooxy(oxo)azanium.
What is the SMILES notation for cerium;diaminooxy(oxo)azanium?
The canonical SMILES for cerium;diaminooxy(oxo)azanium is NO[N+](=O)ON.[Ce].
What is the InChIKey of cerium;diaminooxy(oxo)azanium?
The InChIKey is NGCNSERAWMOWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/Ce.H4N3O3/c;1-5-3(4)6-2/h;1-2H2/q;+1.
What are the key properties of cerium;diaminooxy(oxo)azanium?
cerium;diaminooxy(oxo)azanium has a molecular weight of 234.17 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;diaminooxy(oxo)azanium is sourced from PubChem (CID 173297346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).