1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C164H224Cl2FN29O6S2 — CID 161434807

About 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 161434807) has the molecular formula C164H224Cl2FN29O6S2 and a molecular weight of 2851.83 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 161434807
• Molecular Formula: C164H224Cl2FN29O6S2
• Molecular Weight: 2851.83 g/mol
• Exact Mass: 2848.69
• IUPAC Name: 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• SMILES: CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1
• InChI: InChI=1S/C17H24N2.2C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H14ClN3.C12H17N.C10H11ClN2S.C9H13N5.C9H12N4O.C9H12N2OS/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-8H,1-3H3;4-6,8H,7,9H2,1-3H3;4-5H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,10,11,12,14);4-5,12H,1-3H3
• InChIKey: VYMRWSUCHMYPFF-UHFFFAOYSA-N
• XLogP: 37.49
• TPSA: 364.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 5
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2851.83
LogP ≤ 5	37.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The IUPAC name of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 161434807) is 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

What is the SMILES notation for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The canonical SMILES for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1.

What is the InChIKey of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The InChIKey is VYMRWSUCHMYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H14ClN3.C12H17N.C10H11ClN2S.C9H13N5.C9H12N4O.C9H12N2OS/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-8H,1-3H3;4-6,8H,7,9H2,1-3H3;4-5H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,10,11,12,14);4-5,12H,1-3H3.

What are the key properties of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 2851.83 g/mol, XLogP of 37.49, 5 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 161434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).