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

C129H249N27 — CID 159595147

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

1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole (PubChem CID 159595147) has the molecular formula C129H249N27 and a molecular weight of 2178.60 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole.

Molecular Properties

• Compound Name: 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole
• PubChem CID: 159595147
• Molecular Formula: C129H249N27
• Molecular Weight: 2178.60 g/mol
• Exact Mass: 2177.03
• IUPAC Name: 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole
• SMILES: CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCc1cn(CCC(C)C)nn1.CC(C)CCCCc1cn(CCC(C)C)nn1.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cn(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C
• InChI: InChI=1S/2C16H31N3.C15H29N3.4C14H27N3.2C13H25N3/c2*1-14(2)9-6-5-7-11-16-13-17-18-19(16)12-8-10-15(3)4;1-13(2)8-6-5-7-9-15-12-16-17-18(15)11-10-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;2*1-12(2)7-5-6-8-14-11-17(16-15-14)10-9-13(3)4;1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)6-5-7-13-10-16(15-14-13)9-8-12(3)4/h2*13-15H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;3*11-13H,5-10H2,1-4H3;10,12-13H,5-9,11H2,1-4H3;2*10-12H,5-9H2,1-4H3
• InChIKey: MKSWTLUAIVFQGZ-UHFFFAOYSA-N
• XLogP: 34.41
• TPSA: 276.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 75
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.60
LogP ≤ 5	34.41
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-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole?

The IUPAC name of 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole (CID 159595147) is 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole.

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

The canonical SMILES for 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole is CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCCc1cnnn1CCCC(C)C.CC(C)CCCCc1cn(CCC(C)C)nn1.CC(C)CCCCc1cn(CCC(C)C)nn1.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cn(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.

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

The InChIKey is MKSWTLUAIVFQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H31N3.C15H29N3.4C14H27N3.2C13H25N3/c2*1-14(2)9-6-5-7-11-16-13-17-18-19(16)12-8-10-15(3)4;1-13(2)8-6-5-7-9-15-12-16-17-18(15)11-10-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;2*1-12(2)7-5-6-8-14-11-17(16-15-14)10-9-13(3)4;1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4;1-11(2)6-5-9-16-13(10-14-15-16)8-7-12(3)4;1-11(2)6-5-7-13-10-16(15-14-13)9-8-12(3)4/h2*13-15H,5-12H2,1-4H3;12-14H,5-11H2,1-4H3;3*11-13H,5-10H2,1-4H3;10,12-13H,5-9,11H2,1-4H3;2*10-12H,5-9H2,1-4H3.

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

1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole has a molecular weight of 2178.60 g/mol, XLogP of 34.41, 75 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylbutyl)-5-(6-methylheptyl)triazole;bis(1-(3-methylbutyl)-4-(5-methylhexyl)triazole);5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;bis(5-(6-methylheptyl)-1-(4-methylpentyl)triazole);5-(6-methylheptyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 159595147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).