iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide

C11H8IrN3- — CID 58518086

IUPACiridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
SMILESCc1cn2cnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-6-14-7-12-13-11(14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;
InChIKeyWKNYOZUFRCKWJK-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.99
Rot. Bonds

About iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide

iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide (PubChem CID 58518086) has the molecular formula C11H8IrN3- and a molecular weight of 374.42 g/mol. Its IUPAC name is iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
PubChem CID58518086
Molecular FormulaC11H8IrN3-
Molecular Weight374.42 g/mol
Exact Mass375.04
IUPAC Nameiridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
SMILESCc1cn2cnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-6-14-7-12-13-11(14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;
InChIKeyWKNYOZUFRCKWJK-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'}

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Related Compounds

5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
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
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517607
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517614
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
platinum;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517896

Frequently Asked Questions

What is the IUPAC name of iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide?
The IUPAC name of iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide (CID 58518086) is iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide?
The canonical SMILES for iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide is Cc1cn2cnnc2c2[c-]cccc12.[Ir].
What is the InChIKey of iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide?
The InChIKey is WKNYOZUFRCKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Ir/c1-8-6-14-7-12-13-11(14)10-5-3-2-4-9(8)10;/h2-4,6-7H,1H3;/q-1;.
What are the key properties of iridium;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide?
iridium;6-methyl-10H-[1,2,4]triazolo[3,4-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;6-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide is sourced from PubChem (CID 58518086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).