5-ethyl-1-hexyl-4-propyltriazole

C13H25N3 — CID 69382347

IUPAC5-ethyl-1-hexyl-4-propyltriazole
SMILESCCCCCCn1nnc(CCC)c1CC
InChIInChI=1S/C13H25N3/c1-4-7-8-9-11-16-13(6-3)12(10-5-2)14-15-16/h4-11H2,1-3H3
InChIKeyZUNKMZAVBWEXEP-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.37
Rot. Bonds8

About 5-ethyl-1-hexyl-4-propyltriazole

5-ethyl-1-hexyl-4-propyltriazole (PubChem CID 69382347) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-ethyl-1-hexyl-4-propyltriazole.

Molecular Properties

Compound Name5-ethyl-1-hexyl-4-propyltriazole
PubChem CID69382347
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-ethyl-1-hexyl-4-propyltriazole
SMILESCCCCCCn1nnc(CCC)c1CC
InChIInChI=1S/C13H25N3/c1-4-7-8-9-11-16-13(6-3)12(10-5-2)14-15-16/h4-11H2,1-3H3
InChIKeyZUNKMZAVBWEXEP-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-ethyl-1-hexyl-4-propyltriazole?
The IUPAC name of 5-ethyl-1-hexyl-4-propyltriazole (CID 69382347) is 5-ethyl-1-hexyl-4-propyltriazole.
What is the SMILES notation for 5-ethyl-1-hexyl-4-propyltriazole?
The canonical SMILES for 5-ethyl-1-hexyl-4-propyltriazole is CCCCCCn1nnc(CCC)c1CC.
What is the InChIKey of 5-ethyl-1-hexyl-4-propyltriazole?
The InChIKey is ZUNKMZAVBWEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-7-8-9-11-16-13(6-3)12(10-5-2)14-15-16/h4-11H2,1-3H3.
What are the key properties of 5-ethyl-1-hexyl-4-propyltriazole?
5-ethyl-1-hexyl-4-propyltriazole has a molecular weight of 223.36 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hexyl-4-propyltriazole is sourced from PubChem (CID 69382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).