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

C10H7IrN4- — CID 58517694

IUPACiridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cc2ccc[c-]c2c2nnnn12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-7-6-8-4-2-3-5-9(8)10-11-12-13-14(7)10;/h2-4,6H,1H3;/q-1;
InChIKeyJYRSJKZYETVNSG-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.38
Rot. Bonds

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

iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide (PubChem CID 58517694) has the molecular formula C10H7IrN4- and a molecular weight of 375.41 g/mol. Its IUPAC name is iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide.

Molecular Properties

Compound Nameiridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
PubChem CID58517694
Molecular FormulaC10H7IrN4-
Molecular Weight375.41 g/mol
Exact Mass376.03
IUPAC Nameiridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
SMILESCc1cc2ccc[c-]c2c2nnnn12.[Ir]
InChIInChI=1S/C10H7N4.Ir/c1-7-6-8-4-2-3-5-9(8)10-11-12-13-14(7)10;/h2-4,6H,1H3;/q-1;
InChIKeyJYRSJKZYETVNSG-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
3,5-dimethyl-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;iridium
CID 58517831
5-tert-butyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
CID 58518036
iridium;7-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide
CID 58518119
5,6-dimethyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide;iridium
CID 155613324
1,5-Di(cyclopenta-1,3-dien-1-yl)tetrazole
CID 175523157

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The IUPAC name of iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide (CID 58517694) is iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide.
What is the SMILES notation for iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The canonical SMILES for iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide is Cc1cc2ccc[c-]c2c2nnnn12.[Ir].
What is the InChIKey of iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
The InChIKey is JYRSJKZYETVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4.Ir/c1-7-6-8-4-2-3-5-9(8)10-11-12-13-14(7)10;/h2-4,6H,1H3;/q-1;.
What are the key properties of iridium;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide?
iridium;5-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;5-methyl-10H-tetrazolo[5,1-a]isoquinolin-10-ide is sourced from PubChem (CID 58517694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).