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

C12H10IrN3- — CID 58517614

IUPAC3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
SMILESCc1cn2c(C)nnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H10N3.Ir/c1-8-7-15-9(2)13-14-12(15)11-6-4-3-5-10(8)11;/h3-5,7H,1-2H3;/q-1;
InChIKeyRIFFRYVEWDKXBD-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.30
Rot. Bonds

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

3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium (PubChem CID 58517614) has the molecular formula C12H10IrN3- and a molecular weight of 388.45 g/mol. Its IUPAC name is 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
PubChem CID58517614
Molecular FormulaC12H10IrN3-
Molecular Weight388.45 g/mol
Exact Mass389.05
IUPAC Name3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
SMILESCc1cn2c(C)nnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H10N3.Ir/c1-8-7-15-9(2)13-14-12(15)11-6-4-3-5-10(8)11;/h3-5,7H,1-2H3;/q-1;
InChIKeyRIFFRYVEWDKXBD-UHFFFAOYSA-N
XLogP2.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium with MolForge

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Related Compounds

5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
2-tert-butyl-3-[5-butyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;iridium
CID 58068066
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
4-Cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58240251
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
3,4-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 58240266
Iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
CID 58240275
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
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

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The IUPAC name of 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium (CID 58517614) is 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium is Cc1cn2c(C)nnc2c2[c-]cccc12.[Ir].
What is the InChIKey of 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The InChIKey is RIFFRYVEWDKXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3.Ir/c1-8-7-15-9(2)13-14-12(15)11-6-4-3-5-10(8)11;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium has a molecular weight of 388.45 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).