1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole

C13H25N3O2 — CID 167478835

IUPAC1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
SMILESCCCCCc1cn(CCOCCOCC)nn1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-7-13-12-16(15-14-13)8-9-18-11-10-17-4-2/h12H,3-11H2,1-2H3
InChIKeyGJPSVKOXPSJWEF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.06
Rot. Bonds11

About 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole

1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole (PubChem CID 167478835) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
PubChem CID167478835
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
SMILESCCCCCc1cn(CCOCCOCC)nn1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-7-13-12-16(15-14-13)8-9-18-11-10-17-4-2/h12H,3-11H2,1-2H3
InChIKeyGJPSVKOXPSJWEF-UHFFFAOYSA-N
XLogP2.06
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
CID 104538690
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
2-(4-heptyltriazol-1-yl)ethanethiol
CID 130281012
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-[4-[1-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]pyrazole-4-carbaldehyde
CID 170719103
4-butyl-1-[4-(2-iodoethoxy)butyl]triazole
CID 177149820
ethyl 3-(4-pentyltriazol-1-yl)propanoate
CID 139241705
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole (CID 167478835) is 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole is CCCCCc1cn(CCOCCOCC)nn1.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole?
The InChIKey is GJPSVKOXPSJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-6-7-13-12-16(15-14-13)8-9-18-11-10-17-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole?
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole has a molecular weight of 255.36 g/mol, XLogP of 2.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole is sourced from PubChem (CID 167478835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).