bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole

C116H223N27 — CID 161153415

About bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole

bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (PubChem CID 161153415) has the molecular formula C116H223N27 and a molecular weight of 1996.25 g/mol. Its IUPAC name is bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.

Molecular Properties

• Compound Name: bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
• PubChem CID: 161153415
• Molecular Formula: C116H223N27
• Molecular Weight: 1996.25 g/mol
• Exact Mass: 1994.83
• IUPAC Name: bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
• SMILES: CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.CC(C)CCc1cn(CCC(C)C)nn1.CC(C)CCc1cn(CCC(C)C)nn1
• InChI: InChI=1S/2C14H27N3.4C13H25N3.3C12H23N3/c1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-10-13(14-15-16)9-12(3)4;2*1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h2*11-13H,5-10H2,1-4H3;2*10-12H,5-9H2,1-4H3;9,11-12H,5-8,10H2,1-4H3;10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3
• InChIKey: UOZFQLYJUFCNSO-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 276.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 62
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.25
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?

The IUPAC name of bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (CID 161153415) is bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.

What is the SMILES notation for bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?

The canonical SMILES for bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.CC(C)CCc1cn(CCC(C)C)nn1.CC(C)CCc1cn(CCC(C)C)nn1.

What is the InChIKey of bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?

The InChIKey is UOZFQLYJUFCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H27N3.4C13H25N3.3C12H23N3/c1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-10-13(14-15-16)9-12(3)4;2*1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h2*11-13H,5-10H2,1-4H3;2*10-12H,5-9H2,1-4H3;9,11-12H,5-8,10H2,1-4H3;10-12H,5-9H2,1-4H3;3*9-11H,5-8H2,1-4H3.

What are the key properties of bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?

bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole has a molecular weight of 1996.25 g/mol, XLogP of 29.34, 62 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-bis(3-methylbutyl)triazole);1-(3-methylbutyl)-5-(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-4-(2-methylpropyl)triazole;5-(5-methylhexyl)-1-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 161153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).