2-azanidylethylazanide;carbanide;iridium(3+)

C3H9IrN2 — CID 20587024

IUPAC2-azanidylethylazanide;carbanide;iridium(3+)
SMILES[CH3-].[Ir+3].[NH-]CC[NH-]
InChIInChI=1S/C2H6N2.CH3.Ir/c3-1-2-4;;/h3-4H,1-2H2;1H3;/q-2;-1;+3
InChIKeyVCPMUOUTKIOEFQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.54
Rot. Bonds1

About 2-azanidylethylazanide;carbanide;iridium(3+)

2-azanidylethylazanide;carbanide;iridium(3+) (PubChem CID 20587024) has the molecular formula C3H9IrN2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-azanidylethylazanide;carbanide;iridium(3+).

Molecular Properties

Compound Name2-azanidylethylazanide;carbanide;iridium(3+)
PubChem CID20587024
Molecular FormulaC3H9IrN2
Molecular Weight265.34 g/mol
Exact Mass266.04
IUPAC Name2-azanidylethylazanide;carbanide;iridium(3+)
SMILES[CH3-].[Ir+3].[NH-]CC[NH-]
InChIInChI=1S/C2H6N2.CH3.Ir/c3-1-2-4;;/h3-4H,1-2H2;1H3;/q-2;-1;+3
InChIKeyVCPMUOUTKIOEFQ-UHFFFAOYSA-N
XLogP1.54
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;carbanide;iridium(3+)?
The IUPAC name of 2-azanidylethylazanide;carbanide;iridium(3+) (CID 20587024) is 2-azanidylethylazanide;carbanide;iridium(3+).
What is the SMILES notation for 2-azanidylethylazanide;carbanide;iridium(3+)?
The canonical SMILES for 2-azanidylethylazanide;carbanide;iridium(3+) is [CH3-].[Ir+3].[NH-]CC[NH-].
What is the InChIKey of 2-azanidylethylazanide;carbanide;iridium(3+)?
The InChIKey is VCPMUOUTKIOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.CH3.Ir/c3-1-2-4;;/h3-4H,1-2H2;1H3;/q-2;-1;+3.
What are the key properties of 2-azanidylethylazanide;carbanide;iridium(3+)?
2-azanidylethylazanide;carbanide;iridium(3+) has a molecular weight of 265.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;carbanide;iridium(3+) is sourced from PubChem (CID 20587024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).