5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole

C78H65FIr5N24O2S5-4 — CID 158967868

About 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole

5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole (PubChem CID 158967868) has the molecular formula C78H65FIr5N24O2S5-4 and a molecular weight of 2510.96 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole
• PubChem CID: 158967868
• Molecular Formula: C78H65FIr5N24O2S5-4
• Molecular Weight: 2510.96 g/mol
• Exact Mass: 2513.25
• IUPAC Name: 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole
• SMILES: Cc1cc(C)c(-n2cnnc2-c2[c-]cc3sc(C)nc3c2C)c(C)c1.Cc1cccc(C)c1-n1c(-c2[c-]nc3sc(F)nc3n2)n[n+]2ccccc12.Cc1nc2cc(-c3nnc(C)n3-c3c(C(C)C)cccc3C(C)C)[c-]nc2o1.Cc1nc2cc(-c3nncs3)[c-]nc2s1.Cc1nc2nc(-c3nnco3)[c-]nc2s1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H24N5O.C20H19N4S.C19H13FN6S.C9H5N4S2.C8H4N5OS.5Ir/c1-12(2)17-8-7-9-18(13(3)4)20(17)27-14(5)25-26-21(27)16-10-19-22(23-11-16)28-15(6)24-19;1-11-8-12(2)19(13(3)9-11)24-10-21-23-20(24)16-6-7-17-18(14(16)4)22-15(5)25-17;1-11-6-5-7-12(2)15(11)26-14-8-3-4-9-25(14)24-17(26)13-10-21-18-16(22-13)23-19(20)27-18;1-5-12-7-2-6(3-10-9(7)15-5)8-13-11-4-14-8;1-4-11-6-8(15-4)9-2-5(12-6)7-13-10-3-14-7;;;;;/h7-10,12-13H,1-6H3;7-10H,1-5H3;3-9H,1-2H3;2,4H,1H3;3H,1H3;;;;;/q2*-1;;2*-1
• InChIKey: UQAPXGFUROWVBM-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 302.97 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2510.96
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole?

The IUPAC name of 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole (CID 158967868) is 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole.

What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole?

The canonical SMILES for 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole is Cc1cc(C)c(-n2cnnc2-c2[c-]cc3sc(C)nc3c2C)c(C)c1.Cc1cccc(C)c1-n1c(-c2[c-]nc3sc(F)nc3n2)n[n+]2ccccc12.Cc1nc2cc(-c3nnc(C)n3-c3c(C(C)C)cccc3C(C)C)[c-]nc2o1.Cc1nc2cc(-c3nncs3)[c-]nc2s1.Cc1nc2nc(-c3nnco3)[c-]nc2s1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole?

The InChIKey is UQAPXGFUROWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N5O.C20H19N4S.C19H13FN6S.C9H5N4S2.C8H4N5OS.5Ir/c1-12(2)17-8-7-9-18(13(3)4)20(17)27-14(5)25-26-21(27)16-10-19-22(23-11-16)28-15(6)24-19;1-11-8-12(2)19(13(3)9-11)24-10-21-23-20(24)16-6-7-17-18(14(16)4)22-15(5)25-17;1-11-6-5-7-12(2)15(11)26-14-8-3-4-9-25(14)24-17(26)13-10-21-18-16(22-13)23-19(20)27-18;1-5-12-7-2-6(3-10-9(7)15-5)8-13-11-4-14-8;1-4-11-6-8(15-4)9-2-5(12-6)7-13-10-3-14-7;;;;;/h7-10,12-13H,1-6H3;7-10H,1-5H3;3-9H,1-2H3;2,4H,1H3;3H,1H3;;;;;/q2*-1;;2*-1;;;;;.

What are the key properties of 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole?

5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole has a molecular weight of 2510.96 g/mol, XLogP of 16.81, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl]-2-fluoro-6H-[1,3]thiazolo[4,5-b]pyrazin-6-ide;2,4-dimethyl-5-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzothiazol-6-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;pentakis(iridium);2-methyl-6-(1,3,4-thiadiazol-2-yl)-5H-[1,3]thiazolo[5,4-b]pyridin-5-ide;2-(2-methyl-6H-[1,3]thiazolo[4,5-b]pyrazin-6-id-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 158967868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).