4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole

C16H28N6O — CID 118041307

IUPAC4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole
SMILESCC(C)Cc1cn(CCOCCn2cc(CC(C)C)nn2)nn1
InChIInChI=1S/C16H28N6O/c1-13(2)9-15-11-21(19-17-15)5-7-23-8-6-22-12-16(18-20-22)10-14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyUVSJIDNSEADJCW-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.98
Rot. Bonds10

About 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole

4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole (PubChem CID 118041307) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole
PubChem CID118041307
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole
SMILESCC(C)Cc1cn(CCOCCn2cc(CC(C)C)nn2)nn1
InChIInChI=1S/C16H28N6O/c1-13(2)9-15-11-21(19-17-15)5-7-23-8-6-22-12-16(18-20-22)10-14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyUVSJIDNSEADJCW-UHFFFAOYSA-N
XLogP1.98
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole?
The IUPAC name of 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole (CID 118041307) is 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole?
The canonical SMILES for 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole is CC(C)Cc1cn(CCOCCn2cc(CC(C)C)nn2)nn1.
What is the InChIKey of 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole?
The InChIKey is UVSJIDNSEADJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-13(2)9-15-11-21(19-17-15)5-7-23-8-6-22-12-16(18-20-22)10-14(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole?
4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole has a molecular weight of 320.44 g/mol, XLogP of 1.98, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-[2-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxy]ethyl]triazole is sourced from PubChem (CID 118041307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).