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

C122H235N27 — CID 158549335

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

5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (PubChem CID 158549335) has the molecular formula C122H235N27 and a molecular weight of 2080.41 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.

Molecular Properties

• Compound Name: 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
• PubChem CID: 158549335
• Molecular Formula: C122H235N27
• Molecular Weight: 2080.41 g/mol
• Exact Mass: 2078.92
• IUPAC Name: 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole
• SMILES: CC(C)CCCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCc1cn(CCC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C
• InChI: InChI=1S/2C15H29N3.2C14H27N3.4C13H25N3.C12H23N3/c2*1-13(2)8-5-6-11-18-15(12-16-17-18)10-7-9-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)8-6-5-7-9-17-11-14(15-16-17)10-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(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;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h2*12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;4*10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3
• InChIKey: HPNBXRMCJLKFGS-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 276.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 68
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.41
LogP ≤ 5	31.68
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 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole?

The IUPAC name of 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole (CID 158549335) is 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole.

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

The canonical SMILES for 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is CC(C)CCCCCn1cc(CC(C)C)nn1.CC(C)CCCCn1nncc1CC(C)C.CC(C)CCCCn1nncc1CCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCCn1nncc1CCCC(C)C.CC(C)CCCc1cn(CC(C)C)nn1.CC(C)CCCc1cn(CCC(C)C)nn1.CC(C)CCCn1cc(CCC(C)C)nn1.CC(C)CCCn1nncc1CCC(C)C.

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

The InChIKey is HPNBXRMCJLKFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H29N3.2C14H27N3.4C13H25N3.C12H23N3/c2*1-13(2)8-5-6-11-18-15(12-16-17-18)10-7-9-14(3)4;1-12(2)7-5-6-10-17-14(11-15-16-17)9-8-13(3)4;1-12(2)8-6-5-7-9-17-11-14(15-16-17)10-13(3)4;1-11(2)6-5-9-16-10-13(14-15-16)8-7-12(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;1-11(2)7-5-6-8-16-13(9-12(3)4)10-14-15-16;1-10(2)6-5-7-12-9-15(14-13-12)8-11(3)4/h2*12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;4*10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3.

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

5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole has a molecular weight of 2080.41 g/mol, XLogP of 31.68, 68 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylbutyl)-1-(5-methylhexyl)triazole;1-(3-methylbutyl)-4-(4-methylpentyl)triazole;4-(3-methylbutyl)-1-(4-methylpentyl)triazole;5-(3-methylbutyl)-1-(4-methylpentyl)triazole;1-(6-methylheptyl)-4-(2-methylpropyl)triazole;bis(1-(5-methylhexyl)-5-(4-methylpentyl)triazole);1-(5-methylhexyl)-5-(2-methylpropyl)triazole;4-(4-methylpentyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 158549335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).