iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide

C10H6IrN3- — CID 58517693

IUPACiridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide
SMILES[Ir].[c-]1cccc2ccc3ncnn3c12
InChIInChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-10-11-7-12-13(9)10;/h1-3,5-7H;/q-1;
InChIKeyBEDSNBRVHIOJHQ-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.68
Rot. Bonds

About iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide

iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide (PubChem CID 58517693) has the molecular formula C10H6IrN3- and a molecular weight of 360.40 g/mol. Its IUPAC name is iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide.

Molecular Properties

Compound Nameiridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide
PubChem CID58517693
Molecular FormulaC10H6IrN3-
Molecular Weight360.40 g/mol
Exact Mass361.02
IUPAC Nameiridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide
SMILES[Ir].[c-]1cccc2ccc3ncnn3c12
InChIInChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-10-11-7-12-13(9)10;/h1-3,5-7H;/q-1;
InChIKeyBEDSNBRVHIOJHQ-UHFFFAOYSA-N
XLogP1.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.68
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

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;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
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;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
7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517824
iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517956
iridium;7-isocyano-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517983
iridium;6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58518015

Frequently Asked Questions

What is the IUPAC name of iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide?
The IUPAC name of iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide (CID 58517693) is iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide.
What is the SMILES notation for iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide?
The canonical SMILES for iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide is [Ir].[c-]1cccc2ccc3ncnn3c12.
What is the InChIKey of iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide?
The InChIKey is BEDSNBRVHIOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N3.Ir/c1-2-4-9-8(3-1)5-6-10-11-7-12-13(9)10;/h1-3,5-7H;/q-1;.
What are the key properties of iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide?
iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide has a molecular weight of 360.40 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;9H-[1,2,4]triazolo[1,5-a]quinolin-9-ide is sourced from PubChem (CID 58517693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).