3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium

C12H10IrN3- — CID 58517831

IUPAC3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
SMILESCc1cc2ccc[c-]c2c2nnc(C)n12.[Ir]
InChIInChI=1S/C12H10N3.Ir/c1-8-7-10-5-3-4-6-11(10)12-14-13-9(2)15(8)12;/h3-5,7H,1-2H3;/q-1;
InChIKeyFLKLOXMARHHRKS-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.30
Rot. Bonds

About 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium

3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium (PubChem CID 58517831) has the molecular formula C12H10IrN3- and a molecular weight of 388.45 g/mol. Its IUPAC name is 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
PubChem CID58517831
Molecular FormulaC12H10IrN3-
Molecular Weight388.45 g/mol
Exact Mass389.05
IUPAC Name3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
SMILESCc1cc2ccc[c-]c2c2nnc(C)n12.[Ir]
InChIInChI=1S/C12H10N3.Ir/c1-8-7-10-5-3-4-6-11(10)12-14-13-9(2)15(8)12;/h3-5,7H,1-2H3;/q-1;
InChIKeyFLKLOXMARHHRKS-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 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium with MolForge

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Related Compounds

6-Ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123332773
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
4-Tert-butyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426424
iridium;5-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517481
3,6-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517614
iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58517694
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517805
iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517956
2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517961
iridium;7-isocyano-3-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58518001
iridium;3-methyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58518020
5-tert-butyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
CID 58518036

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The IUPAC name of 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium (CID 58517831) is 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium is Cc1cc2ccc[c-]c2c2nnc(C)n12.[Ir].
What is the InChIKey of 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
The InChIKey is FLKLOXMARHHRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3.Ir/c1-8-7-10-5-3-4-6-11(10)12-14-13-9(2)15(8)12;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium?
3,5-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 3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).