iridium;1-phenyl-3-propyl-1,2,4-triazole

C11H12IrN3- — CID 58621045

IUPACiridium;1-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1ncn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C11H12N3.Ir/c1-2-6-11-12-9-14(13-11)10-7-4-3-5-8-10;/h3-5,7,9H,2,6H2,1H3;/q-1;
InChIKeyFXYSLJDILRUFEP-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.02
Rot. Bonds3

About iridium;1-phenyl-3-propyl-1,2,4-triazole

iridium;1-phenyl-3-propyl-1,2,4-triazole (PubChem CID 58621045) has the molecular formula C11H12IrN3- and a molecular weight of 378.46 g/mol. Its IUPAC name is iridium;1-phenyl-3-propyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;1-phenyl-3-propyl-1,2,4-triazole
PubChem CID58621045
Molecular FormulaC11H12IrN3-
Molecular Weight378.46 g/mol
Exact Mass379.07
IUPAC Nameiridium;1-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1ncn(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C11H12N3.Ir/c1-2-6-11-12-9-14(13-11)10-7-4-3-5-8-10;/h3-5,7,9H,2,6H2,1H3;/q-1;
InChIKeyFXYSLJDILRUFEP-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of iridium;1-phenyl-3-propyl-1,2,4-triazole?
The IUPAC name of iridium;1-phenyl-3-propyl-1,2,4-triazole (CID 58621045) is iridium;1-phenyl-3-propyl-1,2,4-triazole.
What is the SMILES notation for iridium;1-phenyl-3-propyl-1,2,4-triazole?
The canonical SMILES for iridium;1-phenyl-3-propyl-1,2,4-triazole is CCCc1ncn(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;1-phenyl-3-propyl-1,2,4-triazole?
The InChIKey is FXYSLJDILRUFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3.Ir/c1-2-6-11-12-9-14(13-11)10-7-4-3-5-8-10;/h3-5,7,9H,2,6H2,1H3;/q-1;.
What are the key properties of iridium;1-phenyl-3-propyl-1,2,4-triazole?
iridium;1-phenyl-3-propyl-1,2,4-triazole has a molecular weight of 378.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-phenyl-3-propyl-1,2,4-triazole is sourced from PubChem (CID 58621045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).