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

C11H8IrN3- — CID 58517805

IUPACiridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cc2ccc[c-]c2c2ncnn12.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-6-9-4-2-3-5-10(9)11-12-7-13-14(8)11;/h2-4,6-7H,1H3;/q-1;
InChIKeyAHXJNBCTSPWMGD-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.99
Rot. Bonds

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

iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517805) has the molecular formula C11H8IrN3- and a molecular weight of 374.42 g/mol. Its IUPAC name is iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517805
Molecular FormulaC11H8IrN3-
Molecular Weight374.42 g/mol
Exact Mass375.04
IUPAC Nameiridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cc2ccc[c-]c2c2ncnn12.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-6-9-4-2-3-5-10(9)11-12-7-13-14(8)11;/h2-4,6-7H,1H3;/q-1;
InChIKeyAHXJNBCTSPWMGD-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
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
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517607
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;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;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (CID 58517805) is iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is Cc1cc2ccc[c-]c2c2ncnn12.[Ir].
What is the InChIKey of iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is AHXJNBCTSPWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Ir/c1-8-6-9-4-2-3-5-10(9)11-12-7-13-14(8)11;/h2-4,6-7H,1H3;/q-1;.
What are the key properties of iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide has a molecular weight of 374.42 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).