5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium

C11H9IrN4- — CID 155613324

IUPAC5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
SMILESCc1c(C)n2nnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C11H9N4.Ir/c1-7-8(2)15-11(12-13-14-15)10-6-4-3-5-9(7)10;/h3-5H,1-2H3;/q-1;
InChIKeyHJUMYHARNSALGX-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.69
Rot. Bonds

About 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium

5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium (PubChem CID 155613324) has the molecular formula C11H9IrN4- and a molecular weight of 389.44 g/mol. Its IUPAC name is 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
PubChem CID155613324
Molecular FormulaC11H9IrN4-
Molecular Weight389.44 g/mol
Exact Mass390.05
IUPAC Name5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
SMILESCc1c(C)n2nnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C11H9N4.Ir/c1-7-8(2)15-11(12-13-14-15)10-6-4-3-5-9(7)10;/h3-5H,1-2H3;/q-1;
InChIKeyHJUMYHARNSALGX-UHFFFAOYSA-N
XLogP1.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.69
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
5-tert-butyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
CID 58518036
1,5-Di(cyclopenta-1,3-dien-1-yl)tetrazole
CID 175523157

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium (CID 155613324) is 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium is Cc1c(C)n2nnnc2c2[c-]cccc12.[Ir].
What is the InChIKey of 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium?
The InChIKey is HJUMYHARNSALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N4.Ir/c1-7-8(2)15-11(12-13-14-15)10-6-4-3-5-9(7)10;/h3-5H,1-2H3;/q-1;.
What are the key properties of 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium?
5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium has a molecular weight of 389.44 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 155613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).