5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole

C26H40N6O2 — CID 46902876

IUPAC5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole
SMILESCc1cc(-c2nnn(CCCOC(C)(C)C)c2C)ccc1-c1cn(CCCOC(C)(C)C)nn1
InChIInChI=1S/C26H40N6O2/c1-19-17-21(24-20(2)32(30-28-24)14-10-16-34-26(6,7)8)11-12-22(19)23-18-31(29-27-23)13-9-15-33-25(3,4)5/h11-12,17-18H,9-10,13-16H2,1-8H3
InChIKeyWVVFOANMDWPADT-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.23
Rot. Bonds10

About 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole

5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole (PubChem CID 46902876) has the molecular formula C26H40N6O2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole.

Molecular Properties

Compound Name5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole
PubChem CID46902876
Molecular FormulaC26H40N6O2
Molecular Weight468.65 g/mol
Exact Mass468.32
IUPAC Name5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole
SMILESCc1cc(-c2nnn(CCCOC(C)(C)C)c2C)ccc1-c1cn(CCCOC(C)(C)C)nn1
InChIInChI=1S/C26H40N6O2/c1-19-17-21(24-20(2)32(30-28-24)14-10-16-34-26(6,7)8)11-12-22(19)23-18-31(29-27-23)13-9-15-33-25(3,4)5/h11-12,17-18H,9-10,13-16H2,1-8H3
InChIKeyWVVFOANMDWPADT-UHFFFAOYSA-N
XLogP5.23
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole?
The IUPAC name of 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole (CID 46902876) is 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole.
What is the SMILES notation for 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole?
The canonical SMILES for 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole is Cc1cc(-c2nnn(CCCOC(C)(C)C)c2C)ccc1-c1cn(CCCOC(C)(C)C)nn1.
What is the InChIKey of 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole?
The InChIKey is WVVFOANMDWPADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O2/c1-19-17-21(24-20(2)32(30-28-24)14-10-16-34-26(6,7)8)11-12-22(19)23-18-31(29-27-23)13-9-15-33-25(3,4)5/h11-12,17-18H,9-10,13-16H2,1-8H3.
What are the key properties of 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole?
5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole has a molecular weight of 468.65 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-methyl-4-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazol-4-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]triazole is sourced from PubChem (CID 46902876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).