iridium;1-phenyl-1,2,4-triazole

C8H6IrN3- — CID 23526310

IUPACiridium;1-phenyl-1,2,4-triazole
SMILES[Ir].[c-]1ccccc1-n1cncn1
InChIInChI=1S/C8H6N3.Ir/c1-2-4-8(5-3-1)11-7-9-6-10-11;/h1-4,6-7H;/q-1;
InChIKeyQGYSDDNEJUDITB-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.06
Rot. Bonds1

About iridium;1-phenyl-1,2,4-triazole

iridium;1-phenyl-1,2,4-triazole (PubChem CID 23526310) has the molecular formula C8H6IrN3- and a molecular weight of 336.37 g/mol. Its IUPAC name is iridium;1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;1-phenyl-1,2,4-triazole
PubChem CID23526310
Molecular FormulaC8H6IrN3-
Molecular Weight336.37 g/mol
Exact Mass337.02
IUPAC Nameiridium;1-phenyl-1,2,4-triazole
SMILES[Ir].[c-]1ccccc1-n1cncn1
InChIInChI=1S/C8H6N3.Ir/c1-2-4-8(5-3-1)11-7-9-6-10-11;/h1-4,6-7H;/q-1;
InChIKeyQGYSDDNEJUDITB-UHFFFAOYSA-N
XLogP1.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1-phenyl-1,2,4-triazole;iridium
CID 58621100
Iridium;1-phenyltetrazole
CID 59661672
Iridium;4-methyl-1-phenyl-1,2,4-triazol-4-ium
CID 153088729

Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-1,2,4-triazole?
The IUPAC name of iridium;1-phenyl-1,2,4-triazole (CID 23526310) is iridium;1-phenyl-1,2,4-triazole.
What is the SMILES notation for iridium;1-phenyl-1,2,4-triazole?
The canonical SMILES for iridium;1-phenyl-1,2,4-triazole is [Ir].[c-]1ccccc1-n1cncn1.
What is the InChIKey of iridium;1-phenyl-1,2,4-triazole?
The InChIKey is QGYSDDNEJUDITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N3.Ir/c1-2-4-8(5-3-1)11-7-9-6-10-11;/h1-4,6-7H;/q-1;.
What are the key properties of iridium;1-phenyl-1,2,4-triazole?
iridium;1-phenyl-1,2,4-triazole has a molecular weight of 336.37 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-1,2,4-triazole is sourced from PubChem (CID 23526310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).