1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)

C115H223N21 — CID 159671207

About 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)

1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole) (PubChem CID 159671207) has the molecular formula C115H223N21 and a molecular weight of 1900.20 g/mol. Its IUPAC name is 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole).

Molecular Properties

• Compound Name: 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)
• PubChem CID: 159671207
• Molecular Formula: C115H223N21
• Molecular Weight: 1900.20 g/mol
• Exact Mass: 1898.81
• IUPAC Name: 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)
• SMILES: CC(C)CCCCCc1cnnn1CCCCC(C)C.CC(C)CCCCCn1cc(CCCC(C)C)nn1.CC(C)CCCCCn1cc(CCCC(C)C)nn1.CC(C)CCCCCn1nncc1CCCCC(C)C.CC(C)CCCCCn1nncc1CCCCC(C)C.CC(C)CCCCc1cn(CCCCC(C)C)nn1.CC(C)CCCCc1cnnn1CCCCC(C)C
• InChI: InChI=1S/3C17H33N3.4C16H31N3/c2*1-15(2)10-6-5-9-13-20-17(14-18-19-20)12-8-7-11-16(3)4;1-15(2)10-6-5-7-12-17-14-18-19-20(17)13-9-8-11-16(3)4;1-14(2)9-5-6-11-16-13-19(18-17-16)12-8-7-10-15(3)4;1-14(2)9-5-6-11-16-13-17-18-19(16)12-8-7-10-15(3)4;2*1-14(2)9-6-5-7-12-19-13-16(17-18-19)11-8-10-15(3)4/h3*14-16H,5-13H2,1-4H3;4*13-15H,5-12H2,1-4H3
• InChIKey: MUACZADXHPLKBO-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 214.97 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 73
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.20
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)?

The IUPAC name of 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole) (CID 159671207) is 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole).

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

The canonical SMILES for 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole) is CC(C)CCCCCc1cnnn1CCCCC(C)C.CC(C)CCCCCn1cc(CCCC(C)C)nn1.CC(C)CCCCCn1cc(CCCC(C)C)nn1.CC(C)CCCCCn1nncc1CCCCC(C)C.CC(C)CCCCCn1nncc1CCCCC(C)C.CC(C)CCCCc1cn(CCCCC(C)C)nn1.CC(C)CCCCc1cnnn1CCCCC(C)C.

What is the InChIKey of 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)?

The InChIKey is MUACZADXHPLKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H33N3.4C16H31N3/c2*1-15(2)10-6-5-9-13-20-17(14-18-19-20)12-8-7-11-16(3)4;1-15(2)10-6-5-7-12-17-14-18-19-20(17)13-9-8-11-16(3)4;1-14(2)9-5-6-11-16-13-19(18-17-16)12-8-7-10-15(3)4;1-14(2)9-5-6-11-16-13-17-18-19(16)12-8-7-10-15(3)4;2*1-14(2)9-6-5-7-12-19-13-16(17-18-19)11-8-10-15(3)4/h3*14-16H,5-13H2,1-4H3;4*13-15H,5-12H2,1-4H3.

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

1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole) has a molecular weight of 1900.20 g/mol, XLogP of 32.48, 73 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole) is sourced from PubChem (CID 159671207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).