iridium;1-methyl-5-phenyltetrazole

C8H7IrN4- — CID 59661490

IUPACiridium;1-methyl-5-phenyltetrazole
SMILESCn1nnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C8H7N4.Ir/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeyLVHRQEILAGTRTC-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.67
Rot. Bonds1

About iridium;1-methyl-5-phenyltetrazole

iridium;1-methyl-5-phenyltetrazole (PubChem CID 59661490) has the molecular formula C8H7IrN4- and a molecular weight of 351.39 g/mol. Its IUPAC name is iridium;1-methyl-5-phenyltetrazole.

Molecular Properties

Compound Nameiridium;1-methyl-5-phenyltetrazole
PubChem CID59661490
Molecular FormulaC8H7IrN4-
Molecular Weight351.39 g/mol
Exact Mass352.03
IUPAC Nameiridium;1-methyl-5-phenyltetrazole
SMILESCn1nnnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C8H7N4.Ir/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeyLVHRQEILAGTRTC-UHFFFAOYSA-N
XLogP0.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-5-phenyltetrazole?
The IUPAC name of iridium;1-methyl-5-phenyltetrazole (CID 59661490) is iridium;1-methyl-5-phenyltetrazole.
What is the SMILES notation for iridium;1-methyl-5-phenyltetrazole?
The canonical SMILES for iridium;1-methyl-5-phenyltetrazole is Cn1nnnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;1-methyl-5-phenyltetrazole?
The InChIKey is LVHRQEILAGTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N4.Ir/c1-12-8(9-10-11-12)7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;.
What are the key properties of iridium;1-methyl-5-phenyltetrazole?
iridium;1-methyl-5-phenyltetrazole has a molecular weight of 351.39 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-5-phenyltetrazole is sourced from PubChem (CID 59661490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).