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

C11H8IrN3- — CID 58517956

IUPACiridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILESCc1nc2c3[c-]cccc3ccn2n1.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;
InChIKeyHCFCHMVKFXSOHS-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.99
Rot. Bonds

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

iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517956) has the molecular formula C11H8IrN3- and a molecular weight of 374.42 g/mol. Its IUPAC name is iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517956
Molecular FormulaC11H8IrN3-
Molecular Weight374.42 g/mol
Exact Mass375.04
IUPAC Nameiridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
SMILESCc1nc2c3[c-]cccc3ccn2n1.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;
InChIKeyHCFCHMVKFXSOHS-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

iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
5-(2,2-Dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 58162148
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
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;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

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide (CID 58517956) is iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is Cc1nc2c3[c-]cccc3ccn2n1.[Ir].
What is the InChIKey of iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is HCFCHMVKFXSOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Ir/c1-8-12-11-10-5-3-2-4-9(10)6-7-14(11)13-8;/h2-4,6-7H,1H3;/q-1;.
What are the key properties of iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide?
iridium;2-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;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).