bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)

C98H190N18 — CID 161352384

About bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)

bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole) (PubChem CID 161352384) has the molecular formula C98H190N18 and a molecular weight of 1620.72 g/mol. Its IUPAC name is bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole).

Molecular Properties

• Compound Name: bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)
• PubChem CID: 161352384
• Molecular Formula: C98H190N18
• Molecular Weight: 1620.72 g/mol
• Exact Mass: 1619.54
• IUPAC Name: bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)
• SMILES: CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCCn1cc(CCC(C)C)nn1.CC(C)CCCCCc1cnnn1CC(C)C
• InChI: InChI=1S/4C17H33N3.C16H31N3.C14H27N3/c2*1-15(2)10-7-5-6-8-12-17-14-18-19-20(17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-11-17-14-18-19-20(17)13-12-16(3)4;1-14(2)9-7-5-6-8-12-19-13-16(17-18-19)11-10-15(3)4;1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4/h4*14-16H,5-13H2,1-4H3;13-15H,5-12H2,1-4H3;10,12-13H,5-9,11H2,1-4H3
• InChIKey: VOCACDHORKHFRZ-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 184.26 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 62
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.72
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)?

The IUPAC name of bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole) (CID 161352384) is bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole).

What is the SMILES notation for bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)?

The canonical SMILES for bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole) is CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCCn1cc(CCC(C)C)nn1.CC(C)CCCCCc1cnnn1CC(C)C.

What is the InChIKey of bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)?

The InChIKey is VOCACDHORKHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H33N3.C16H31N3.C14H27N3/c2*1-15(2)10-7-5-6-8-12-17-14-18-19-20(17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-11-17-14-18-19-20(17)13-12-16(3)4;1-14(2)9-7-5-6-8-12-19-13-16(17-18-19)11-10-15(3)4;1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4/h4*14-16H,5-13H2,1-4H3;13-15H,5-12H2,1-4H3;10,12-13H,5-9,11H2,1-4H3.

What are the key properties of bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole)?

bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole) has a molecular weight of 1620.72 g/mol, XLogP of 27.62, 62 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);4-(3-methylbutyl)-1-(7-methyloctyl)triazole;5-(6-methylheptyl)-1-(2-methylpropyl)triazole;bis(5-(7-methyloctyl)-1-(4-methylpentyl)triazole) is sourced from PubChem (CID 161352384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).