iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide

C10H7IrN4- — CID 58517923

IUPACiridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cn2nnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-7-6-14-10(11-12-13-14)9-5-3-2-4-8(7)9;/h2-4,6H,1H3;/q-1;
InChIKeyYDQCQOCYFJYVKL-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.38
Rot. Bonds

About iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide

iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517923) has the molecular formula C10H7IrN4- and a molecular weight of 375.41 g/mol. Its IUPAC name is iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517923
Molecular FormulaC10H7IrN4-
Molecular Weight375.41 g/mol
Exact Mass376.03
IUPAC Nameiridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cn2nnnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-7-6-14-10(11-12-13-14)9-5-3-2-4-8(7)9;/h2-4,6H,1H3;/q-1;
InChIKeyYDQCQOCYFJYVKL-UHFFFAOYSA-N
XLogP1.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58517677
iridium;7-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58518119
platinum;10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58518135
3,4,5,6-Tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 67324242
5-(2-Tert-butylbenzene-6-id-1-yl)-1-methyltetrazole;iridium
CID 145746573
5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
CID 155613324

Frequently Asked Questions

What is the IUPAC name of iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide (CID 58517923) is iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide is Cc1cn2nnnc2c2[c-]cccc12.[Ir].
What is the InChIKey of iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is YDQCQOCYFJYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4.Ir/c1-7-6-14-10(11-12-13-14)9-5-3-2-4-8(7)9;/h2-4,6H,1H3;/q-1;.
What are the key properties of iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide has a molecular weight of 375.41 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).