iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole

C13H16IrN3- — CID 58240275

IUPACiridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2[c-]cccc2)n1CC(C)C.[Ir]
InChIInChI=1S/C13H16N3.Ir/c1-10(2)9-16-11(3)14-15-13(16)12-7-5-4-6-8-12;/h4-7,10H,9H2,1-3H3;/q-1;
InChIKeyHGSLRGPHZHDZKT-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.71
Rot. Bonds3

About iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole

iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole (PubChem CID 58240275) has the molecular formula C13H16IrN3- and a molecular weight of 406.51 g/mol. Its IUPAC name is iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
PubChem CID58240275
Molecular FormulaC13H16IrN3-
Molecular Weight406.51 g/mol
Exact Mass407.10
IUPAC Nameiridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
SMILESCc1nnc(-c2[c-]cccc2)n1CC(C)C.[Ir]
InChIInChI=1S/C13H16N3.Ir/c1-10(2)9-16-11(3)14-15-13(16)12-7-5-4-6-8-12;/h4-7,10H,9H2,1-3H3;/q-1;
InChIKeyHGSLRGPHZHDZKT-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.71
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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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
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
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
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
4-Tert-butyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58426424

Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole (CID 58240275) is iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole is Cc1nnc(-c2[c-]cccc2)n1CC(C)C.[Ir].
What is the InChIKey of iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole?
The InChIKey is HGSLRGPHZHDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3.Ir/c1-10(2)9-16-11(3)14-15-13(16)12-7-5-4-6-8-12;/h4-7,10H,9H2,1-3H3;/q-1;.
What are the key properties of iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole?
iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole has a molecular weight of 406.51 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 58240275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).