4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole

C18H32N6O2 — CID 70907423

IUPAC4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole
SMILESCC(C)c1cn(CCOCCCCOCCn2cc(C(C)C)nn2)nn1
InChIInChI=1S/C18H32N6O2/c1-15(2)17-13-23(21-19-17)7-11-25-9-5-6-10-26-12-8-24-14-18(16(3)4)20-22-24/h13-16H,5-12H2,1-4H3
InChIKeyCUIKLXUFBKAVLR-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.63
Rot. Bonds13

About 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole

4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole (PubChem CID 70907423) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole.

Molecular Properties

Compound Name4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole
PubChem CID70907423
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole
SMILESCC(C)c1cn(CCOCCCCOCCn2cc(C(C)C)nn2)nn1
InChIInChI=1S/C18H32N6O2/c1-15(2)17-13-23(21-19-17)7-11-25-9-5-6-10-26-12-8-24-14-18(16(3)4)20-22-24/h13-16H,5-12H2,1-4H3
InChIKeyCUIKLXUFBKAVLR-UHFFFAOYSA-N
XLogP2.63
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]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 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole?
The IUPAC name of 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole (CID 70907423) is 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole.
What is the SMILES notation for 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole?
The canonical SMILES for 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole is CC(C)c1cn(CCOCCCCOCCn2cc(C(C)C)nn2)nn1.
What is the InChIKey of 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole?
The InChIKey is CUIKLXUFBKAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-15(2)17-13-23(21-19-17)7-11-25-9-5-6-10-26-12-8-24-14-18(16(3)4)20-22-24/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole?
4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole has a molecular weight of 364.49 g/mol, XLogP of 2.63, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[2-[4-[2-(4-propan-2-yltriazol-1-yl)ethoxy]butoxy]ethyl]triazole is sourced from PubChem (CID 70907423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).