iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole

C14H18IrN3- — CID 58240206

IUPACiridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
SMILESCCCc1nnc(-c2[c-]cccc2)n1CCC.[Ir]
InChIInChI=1S/C14H18N3.Ir/c1-3-8-13-15-16-14(17(13)11-4-2)12-9-6-5-7-10-12;/h5-7,9H,3-4,8,11H2,1-2H3;/q-1;
InChIKeyINQXCYXIMQZFAP-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.11
Rot. Bonds5

About iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole

iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole (PubChem CID 58240206) has the molecular formula C14H18IrN3- and a molecular weight of 420.54 g/mol. Its IUPAC name is iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
PubChem CID58240206
Molecular FormulaC14H18IrN3-
Molecular Weight420.54 g/mol
Exact Mass421.11
IUPAC Nameiridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
SMILESCCCc1nnc(-c2[c-]cccc2)n1CCC.[Ir]
InChIInChI=1S/C14H18N3.Ir/c1-3-8-13-15-16-14(17(13)11-4-2)12-9-6-5-7-10-12;/h5-7,9H,3-4,8,11H2,1-2H3;/q-1;
InChIKeyINQXCYXIMQZFAP-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Tert-butyl-3-(1,1-difluoroethyl)-5-phenyl-1,2,4-triazole;iridium
CID 58426447
3-(1,1-Difluoroethyl)-4-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426455
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
3-(4-cyclohexyl-5-propan-2-yl-1,2,4-triazol-3-yl)-2,6-dimethyl-4H-pyridin-4-ide;iridium
CID 58068058
5-(2,2-Dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 58162148
3-(2,4-Difluorobenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1-methyl-1,2,4-triazole;iridium
CID 58162213
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
4-Cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58240251
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
3,4-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 58240266
Iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
CID 58240275

Frequently Asked Questions

What is the IUPAC name of iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole?
The IUPAC name of iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole (CID 58240206) is iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole.
What is the SMILES notation for iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole?
The canonical SMILES for iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole is CCCc1nnc(-c2[c-]cccc2)n1CCC.[Ir].
What is the InChIKey of iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole?
The InChIKey is INQXCYXIMQZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3.Ir/c1-3-8-13-15-16-14(17(13)11-4-2)12-9-6-5-7-10-12;/h5-7,9H,3-4,8,11H2,1-2H3;/q-1;.
What are the key properties of iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole?
iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole has a molecular weight of 420.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole is sourced from PubChem (CID 58240206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).