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

C129H249N27 — CID 158745845

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

bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole) (PubChem CID 158745845) has the molecular formula C129H249N27 and a molecular weight of 2178.60 g/mol. Its IUPAC name is bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole).

Molecular Properties

• Compound Name: bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
• PubChem CID: 158745845
• Molecular Formula: C129H249N27
• Molecular Weight: 2178.60 g/mol
• Exact Mass: 2177.03
• IUPAC Name: bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
• SMILES: CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cnnn1CCCC(C)C.CC(C)CCCc1cnnn1CCCC(C)C
• InChI: InChI=1S/C17H33N3.8C14H27N3/c1-15(2)10-8-6-5-7-9-11-17-14-18-19-20(17)13-12-16(3)4;2*1-12(2)7-5-9-14-11-15-16-17(14)10-6-8-13(3)4;2*1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;2*1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;2*1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4/h14-16H,5-13H2,1-4H3;6*11-13H,5-10H2,1-4H3;2*10,12-13H,5-9,11H2,1-4H3
• InChIKey: IMWJLXBRWLJMRZ-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 bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)?

The IUPAC name of bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole) (CID 158745845) is bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole).

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

The canonical SMILES for bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole) is CC(C)CCCCCCCc1cnnn1CCC(C)C.CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCCc1cnnn1CC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCc1cnnn1CCC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCc1cnnn1CCCC(C)C.CC(C)CCCc1cnnn1CCCC(C)C.

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

The InChIKey is IMWJLXBRWLJMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3.8C14H27N3/c1-15(2)10-8-6-5-7-9-11-17-14-18-19-20(17)13-12-16(3)4;2*1-12(2)7-5-9-14-11-15-16-17(14)10-6-8-13(3)4;2*1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;2*1-12(2)7-5-6-8-14-11-15-16-17(14)10-9-13(3)4;2*1-12(2)8-6-5-7-9-14-10-15-16-17(14)11-13(3)4/h14-16H,5-13H2,1-4H3;6*11-13H,5-10H2,1-4H3;2*10,12-13H,5-9,11H2,1-4H3.

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

bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(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 bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole) is sourced from PubChem (CID 158745845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).