iridium;1-phenyltetrazole

C7H5IrN4- — CID 59661672

IUPACiridium;1-phenyltetrazole
SMILES[Ir].[c-]1ccccc1-n1cnnn1
InChIInChI=1S/C7H5N4.Ir/c1-2-4-7(5-3-1)11-6-8-9-10-11;/h1-4,6H;/q-1;
InChIKeyOINUJUCNIFCFKH-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.46
Rot. Bonds1

About iridium;1-phenyltetrazole

iridium;1-phenyltetrazole (PubChem CID 59661672) has the molecular formula C7H5IrN4- and a molecular weight of 337.36 g/mol. Its IUPAC name is iridium;1-phenyltetrazole.

Molecular Properties

Compound Nameiridium;1-phenyltetrazole
PubChem CID59661672
Molecular FormulaC7H5IrN4-
Molecular Weight337.36 g/mol
Exact Mass338.01
IUPAC Nameiridium;1-phenyltetrazole
SMILES[Ir].[c-]1ccccc1-n1cnnn1
InChIInChI=1S/C7H5N4.Ir/c1-2-4-7(5-3-1)11-6-8-9-10-11;/h1-4,6H;/q-1;
InChIKeyOINUJUCNIFCFKH-UHFFFAOYSA-N
XLogP0.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-phenyl-1,2,4-triazole
CID 23526310

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyltetrazole?
The IUPAC name of iridium;1-phenyltetrazole (CID 59661672) is iridium;1-phenyltetrazole.
What is the SMILES notation for iridium;1-phenyltetrazole?
The canonical SMILES for iridium;1-phenyltetrazole is [Ir].[c-]1ccccc1-n1cnnn1.
What is the InChIKey of iridium;1-phenyltetrazole?
The InChIKey is OINUJUCNIFCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N4.Ir/c1-2-4-7(5-3-1)11-6-8-9-10-11;/h1-4,6H;/q-1;.
What are the key properties of iridium;1-phenyltetrazole?
iridium;1-phenyltetrazole has a molecular weight of 337.36 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyltetrazole is sourced from PubChem (CID 59661672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).