triazanium;hexachloroiridium(3-);hydrate

H14Cl6IrN3O — CID 18366487

IUPACtriazanium;hexachloroiridium(3-);hydrate
SMILESCl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl.O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/6ClH.Ir.3H3N.H2O/h6*1H;;3*1H3;1H2/q;;;;;;+3;;;;/p-3
InChIKeyLJHBEBFYNMDGCZ-UHFFFAOYSA-K
MW477.07 g/mol
LogP4.44
Rot. Bonds

About triazanium;hexachloroiridium(3-);hydrate

triazanium;hexachloroiridium(3-);hydrate (PubChem CID 18366487) has the molecular formula H14Cl6IrN3O and a molecular weight of 477.07 g/mol. Its IUPAC name is triazanium;hexachloroiridium(3-);hydrate.

Molecular Properties

Compound Nametriazanium;hexachloroiridium(3-);hydrate
PubChem CID18366487
Molecular FormulaH14Cl6IrN3O
Molecular Weight477.07 g/mol
Exact Mass474.89
IUPAC Nametriazanium;hexachloroiridium(3-);hydrate
SMILESCl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl.O.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/6ClH.Ir.3H3N.H2O/h6*1H;;3*1H3;1H2/q;;;;;;+3;;;;/p-3
InChIKeyLJHBEBFYNMDGCZ-UHFFFAOYSA-K
XLogP4.44
TPSA141.00 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.07
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of triazanium;hexachloroiridium(3-);hydrate?
The IUPAC name of triazanium;hexachloroiridium(3-);hydrate (CID 18366487) is triazanium;hexachloroiridium(3-);hydrate.
What is the SMILES notation for triazanium;hexachloroiridium(3-);hydrate?
The canonical SMILES for triazanium;hexachloroiridium(3-);hydrate is Cl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl.O.[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;hexachloroiridium(3-);hydrate?
The InChIKey is LJHBEBFYNMDGCZ-UHFFFAOYSA-K. The full InChI is InChI=1S/6ClH.Ir.3H3N.H2O/h6*1H;;3*1H3;1H2/q;;;;;;+3;;;;/p-3.
What are the key properties of triazanium;hexachloroiridium(3-);hydrate?
triazanium;hexachloroiridium(3-);hydrate has a molecular weight of 477.07 g/mol, XLogP of 4.44, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;hexachloroiridium(3-);hydrate is sourced from PubChem (CID 18366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).