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

C131H254N24 — CID 160877801

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

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole (PubChem CID 160877801) has the molecular formula C131H254N24 and a molecular weight of 2165.64 g/mol. Its IUPAC name is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole.

Molecular Properties

• Compound Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole
• PubChem CID: 160877801
• Molecular Formula: C131H254N24
• Molecular Weight: 2165.64 g/mol
• Exact Mass: 2164.06
• IUPAC Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole
• SMILES: CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C
• InChI: InChI=1S/3C17H33N3.5C16H31N3/c1-15(2)10-7-5-6-8-12-17-14-20(19-18-17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h3*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3
• InChIKey: SMPZCEDZSRCYOY-UHFFFAOYSA-N
• XLogP: 36.96
• TPSA: 245.68 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 83
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.64
LogP ≤ 5	36.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole (CID 160877801) is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole.

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

The canonical SMILES for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole is CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C.

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

The InChIKey is SMPZCEDZSRCYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H33N3.5C16H31N3/c1-15(2)10-7-5-6-8-12-17-14-20(19-18-17)13-9-11-16(3)4;2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h3*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3.

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

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole has a molecular weight of 2165.64 g/mol, XLogP of 36.96, 83 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);1-(6-methylheptyl)-5-(4-methylpentyl)triazole;4-(7-methyloctyl)-1-(4-methylpentyl)triazole is sourced from PubChem (CID 160877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).