iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide

C10H6IrN3- — CID 58517607

IUPACiridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILES[Ir].[c-]1cccc2ccn3ncnc3c12
InChIInChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13;/h1-3,5-7H;/q-1;
InChIKeyBNCMIAGCJDCFLZ-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.68
Rot. Bonds

About iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide

iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517607) has the molecular formula C10H6IrN3- and a molecular weight of 360.40 g/mol. Its IUPAC name is iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517607
Molecular FormulaC10H6IrN3-
Molecular Weight360.40 g/mol
Exact Mass361.02
IUPAC Nameiridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILES[Ir].[c-]1cccc2ccn3ncnc3c12
InChIInChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13;/h1-3,5-7H;/q-1;
InChIKeyBNCMIAGCJDCFLZ-UHFFFAOYSA-N
XLogP1.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.68
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

6h-[1,2,4]Triazolo[1,5-a]indole
CID 129728299
N,N-dimethyl-3-(4-methyl-1,2,4-triazol-3-yl)benzene-4-id-1-amine;iridium
CID 57648579
iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
7-isocyano-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;platinum
CID 58517486
6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517530
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517614
iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide
CID 58517693
iridium;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517727
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517805
iridium;10H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-10-ide
CID 58517814
7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517824

Frequently Asked Questions

What is the IUPAC name of iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (CID 58517607) is iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is [Ir].[c-]1cccc2ccn3ncnc3c12.
What is the InChIKey of iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is BNCMIAGCJDCFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13;/h1-3,5-7H;/q-1;.
What are the key properties of iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide has a molecular weight of 360.40 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).