1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)

C126H243N27 — CID 158830017

About 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)

1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole) (PubChem CID 158830017) has the molecular formula C126H243N27 and a molecular weight of 2136.52 g/mol. Its IUPAC name is 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole).

Molecular Properties

• Compound Name: 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)
• PubChem CID: 158830017
• Molecular Formula: C126H243N27
• Molecular Weight: 2136.52 g/mol
• Exact Mass: 2134.98
• IUPAC Name: 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)
• SMILES: CC(C)CCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCCCC(C)C.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCc1cnnn1CCC(C)C.CC(C)CCCc1cnnn1CCC(C)C.CC(C)CCCn1nncc1CCC(C)C
• InChI: InChI=1S/3C16H31N3.6C13H25N3/c1-14(2)9-5-6-11-16-13-17-18-19(16)12-8-7-10-15(3)4;1-14(2)9-6-5-7-11-16-13-17-18-19(16)12-8-10-15(3)4;1-14(2)9-7-5-6-8-10-16-13-17-18-19(16)12-11-15(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;2*1-11(2)6-5-7-13-10-14-15-16(13)9-8-12(3)4;2*1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16/h3*13-15H,5-12H2,1-4H3;3*10-12H,5-9H2,1-4H3;2*9,11-12H,5-8,10H2,1-4H3;10-12H,5-9H2,1-4H3
• InChIKey: IWXRTHVGAJGHFY-UHFFFAOYSA-N
• XLogP: 33.24
• TPSA: 276.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 72
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.52
LogP ≤ 5	33.24
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 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)?

The IUPAC name of 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole) (CID 158830017) is 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole).

What is the SMILES notation for 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)?

The canonical SMILES for 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole) is CC(C)CCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCCCC(C)C.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCc1cnnn1CCC(C)C.CC(C)CCCc1cnnn1CCC(C)C.CC(C)CCCn1nncc1CCC(C)C.

What is the InChIKey of 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)?

The InChIKey is IWXRTHVGAJGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H31N3.6C13H25N3/c1-14(2)9-5-6-11-16-13-17-18-19(16)12-8-7-10-15(3)4;1-14(2)9-6-5-7-11-16-13-17-18-19(16)12-8-10-15(3)4;1-14(2)9-7-5-6-8-10-16-13-17-18-19(16)12-11-15(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;2*1-11(2)6-5-7-13-10-14-15-16(13)9-8-12(3)4;2*1-11(2)7-5-6-8-13-9-14-15-16(13)10-12(3)4;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16/h3*13-15H,5-12H2,1-4H3;3*10-12H,5-9H2,1-4H3;2*9,11-12H,5-8,10H2,1-4H3;10-12H,5-9H2,1-4H3.

What are the key properties of 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole)?

1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole) has a molecular weight of 2136.52 g/mol, XLogP of 33.24, 72 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(5-methylhexyl)triazole;1-(3-methylbutyl)-5-(7-methyloctyl)triazole;bis(1-(3-methylbutyl)-5-(4-methylpentyl)triazole);5-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(6-methylheptyl)-1-(4-methylpentyl)triazole;1-(5-methylhexyl)-5-(2-methylpropyl)triazole;bis(5-(5-methylhexyl)-1-(2-methylpropyl)triazole) is sourced from PubChem (CID 158830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).