1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole

C12H23N3O2 — CID 155402046

IUPAC1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
SMILESCCn1cc(CCCOCCOC(C)C)nn1
InChIInChI=1S/C12H23N3O2/c1-4-15-10-12(13-14-15)6-5-7-16-8-9-17-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyPHJKTZVSLPIHTF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.67
Rot. Bonds9

About 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole

1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole (PubChem CID 155402046) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
PubChem CID155402046
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
SMILESCCn1cc(CCCOCCOC(C)C)nn1
InChIInChI=1S/C12H23N3O2/c1-4-15-10-12(13-14-15)6-5-7-16-8-9-17-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyPHJKTZVSLPIHTF-UHFFFAOYSA-N
XLogP1.67
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
CID 155405262
4-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)triazole
CID 62401226
4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
CID 171725797
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
CID 171725793
N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
CID 159191792
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
4-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]pentan-3-one
CID 154684338
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole?
The IUPAC name of 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole (CID 155402046) is 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole.
What is the SMILES notation for 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole?
The canonical SMILES for 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole is CCn1cc(CCCOCCOC(C)C)nn1.
What is the InChIKey of 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole?
The InChIKey is PHJKTZVSLPIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15-10-12(13-14-15)6-5-7-16-8-9-17-11(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole?
1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole has a molecular weight of 241.33 g/mol, XLogP of 1.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole is sourced from PubChem (CID 155402046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).