triazanium;oxalate;oxido(dioxo)niobium

C2H12N3NbO7 — CID 173073929

IUPACtriazanium;oxalate;oxido(dioxo)niobium
SMILESO=C([O-])C(=O)[O-].O=[Nb](=O)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.3H3N.Nb.3O/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);3*1H3;;;;/q;;;;;;;-1/p+1
InChIKeyRWTSSAYNMFNZOM-UHFFFAOYSA-O
MW283.04 g/mol
LogP-3.81
Rot. Bonds

About triazanium;oxalate;oxido(dioxo)niobium

triazanium;oxalate;oxido(dioxo)niobium (PubChem CID 173073929) has the molecular formula C2H12N3NbO7 and a molecular weight of 283.04 g/mol. Its IUPAC name is triazanium;oxalate;oxido(dioxo)niobium.

Molecular Properties

Compound Nametriazanium;oxalate;oxido(dioxo)niobium
PubChem CID173073929
Molecular FormulaC2H12N3NbO7
Molecular Weight283.04 g/mol
Exact Mass282.97
IUPAC Nametriazanium;oxalate;oxido(dioxo)niobium
SMILESO=C([O-])C(=O)[O-].O=[Nb](=O)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C2H2O4.3H3N.Nb.3O/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);3*1H3;;;;/q;;;;;;;-1/p+1
InChIKeyRWTSSAYNMFNZOM-UHFFFAOYSA-O
XLogP-3.81
TPSA246.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 5-3.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 14213
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CID 22167731
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CID 141480111
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CID 162639609
azanium;oxalate;yttrium(3+);hydrate
CID 20835715
oxalate;bis(ruthenium(3+))
CID 57371303
oxalate;platinum(2+)
CID 22066175
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CID 8762
chromium(6+);oxalate
CID 138397959
oxalate;silicon(4+)
CID 19840044
cesium oxalate
CID 53436195

Frequently Asked Questions

What is the IUPAC name of triazanium;oxalate;oxido(dioxo)niobium?
The IUPAC name of triazanium;oxalate;oxido(dioxo)niobium (CID 173073929) is triazanium;oxalate;oxido(dioxo)niobium.
What is the SMILES notation for triazanium;oxalate;oxido(dioxo)niobium?
The canonical SMILES for triazanium;oxalate;oxido(dioxo)niobium is O=C([O-])C(=O)[O-].O=[Nb](=O)[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;oxalate;oxido(dioxo)niobium?
The InChIKey is RWTSSAYNMFNZOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2O4.3H3N.Nb.3O/c3-1(4)2(5)6;;;;;;;/h(H,3,4)(H,5,6);3*1H3;;;;/q;;;;;;;-1/p+1.
What are the key properties of triazanium;oxalate;oxido(dioxo)niobium?
triazanium;oxalate;oxido(dioxo)niobium has a molecular weight of 283.04 g/mol, XLogP of -3.81, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;oxalate;oxido(dioxo)niobium is sourced from PubChem (CID 173073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).