iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide

C9H5IrN4- — CID 58517677

IUPACiridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILES[Ir].[c-]1cccc2ccn3nnnc3c12
InChIInChI=1S/C9H5N4.Ir/c1-2-4-8-7(3-1)5-6-13-9(8)10-11-12-13;/h1-3,5-6H;/q-1;
InChIKeyCCPHXWCJIOTIDS-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.08
Rot. Bonds

About iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide

iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517677) has the molecular formula C9H5IrN4- and a molecular weight of 361.38 g/mol. Its IUPAC name is iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517677
Molecular FormulaC9H5IrN4-
Molecular Weight361.38 g/mol
Exact Mass362.01
IUPAC Nameiridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILES[Ir].[c-]1cccc2ccn3nnnc3c12
InChIInChI=1S/C9H5N4.Ir/c1-2-4-8-7(3-1)5-6-13-9(8)10-11-12-13;/h1-3,5-6H;/q-1;
InChIKeyCCPHXWCJIOTIDS-UHFFFAOYSA-N
XLogP1.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.08
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;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58517694
iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58517923
iridium;7-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58518119
platinum;10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58518135
3,4,5,6-Tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 67324242

Frequently Asked Questions

What is the IUPAC name of iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide (CID 58517677) is iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide is [Ir].[c-]1cccc2ccn3nnnc3c12.
What is the InChIKey of iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is CCPHXWCJIOTIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N4.Ir/c1-2-4-8-7(3-1)5-6-13-9(8)10-11-12-13;/h1-3,5-6H;/q-1;.
What are the key properties of iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide?
iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide has a molecular weight of 361.38 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).