1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane

C107H203N23 — CID 160957397

About 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane

1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane (PubChem CID 160957397) has the molecular formula C107H203N23 and a molecular weight of 1811.96 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane
• PubChem CID: 160957397
• Molecular Formula: C107H203N23
• Molecular Weight: 1811.96 g/mol
• Exact Mass: 1810.66
• IUPAC Name: 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane
• SMILES: C.CC(C)(C)C#CC(C)(C)Cn1cc(CC(C)(C)C)nn1.CC(C)(C)C#CC(C)(C)Cn1cc(CN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)CCCCCn1cc(CCC(C)(C)C)nn1.CC(C)(C)Cc1cn(CCCCCCN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)Cc1cn(CCN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2
• InChI: InChI=1S/C21H37N5.C21H41N5.C17H33N5.C17H29N3.C17H33N3.C13H26N2.CH4/c1-19(2,3)9-10-21(7,8)17-26-16-18(22-23-26)15-24-11-13-25(14-12-24)20(4,5)6;1-20(2,3)17-19-18-26(23-22-19)12-10-8-7-9-11-24-13-15-25(16-14-24)21(4,5)6;1-16(2,3)13-15-14-22(19-18-15)12-9-20-7-10-21(11-8-20)17(4,5)6;1-15(2,3)9-10-17(7,8)13-20-12-14(18-19-20)11-16(4,5)6;1-16(2,3)11-8-7-9-13-20-14-15(18-19-20)10-12-17(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;/h16H,11-15,17H2,1-8H3;18H,7-17H2,1-6H3;14H,7-13H2,1-6H3;12H,11,13H2,1-8H3;14H,7-13H2,1-6H3;7-10H2,1-6H3;1H4
• InChIKey: SWOLBLDGCAOGBO-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 179.47 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.96
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane?

The IUPAC name of 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane (CID 160957397) is 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane.

What is the SMILES notation for 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane?

The canonical SMILES for 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane is C.CC(C)(C)C#CC(C)(C)Cn1cc(CC(C)(C)C)nn1.CC(C)(C)C#CC(C)(C)Cn1cc(CN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)CCCCCn1cc(CCC(C)(C)C)nn1.CC(C)(C)Cc1cn(CCCCCCN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)Cc1cn(CCN2CCN(C(C)(C)C)CC2)nn1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.

What is the InChIKey of 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane?

The InChIKey is SWOLBLDGCAOGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5.C21H41N5.C17H33N5.C17H29N3.C17H33N3.C13H26N2.CH4/c1-19(2,3)9-10-21(7,8)17-26-16-18(22-23-26)15-24-11-13-25(14-12-24)20(4,5)6;1-20(2,3)17-19-18-26(23-22-19)12-10-8-7-9-11-24-13-15-25(16-14-24)21(4,5)6;1-16(2,3)13-15-14-22(19-18-15)12-9-20-7-10-21(11-8-20)17(4,5)6;1-15(2,3)9-10-17(7,8)13-20-12-14(18-19-20)11-16(4,5)6;1-16(2,3)11-8-7-9-13-20-14-15(18-19-20)10-12-17(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;/h16H,11-15,17H2,1-8H3;18H,7-17H2,1-6H3;14H,7-13H2,1-6H3;12H,11,13H2,1-8H3;14H,7-13H2,1-6H3;7-10H2,1-6H3;1H4.

What are the key properties of 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane?

1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane has a molecular weight of 1811.96 g/mol, XLogP of 21.04, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]piperazine;1-tert-butyl-4-[6-[4-(2,2-dimethylpropyl)triazol-1-yl]hexyl]piperazine;1-tert-butyl-4-[[1-(2,2,5,5-tetramethylhex-3-ynyl)triazol-4-yl]methyl]piperazine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)triazole;4-(2,2-dimethylpropyl)-1-(2,2,5,5-tetramethylhex-3-ynyl)triazole;methane is sourced from PubChem (CID 160957397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).