3-ethyl-4,5-dipentyl-1,2,4-triazole

C14H27N3 — CID 70574575

IUPAC3-ethyl-4,5-dipentyl-1,2,4-triazole
SMILESCCCCCc1nnc(CC)n1CCCCC
InChIInChI=1S/C14H27N3/c1-4-7-9-11-14-16-15-13(6-3)17(14)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyHTXUSSRSIDYOFH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.76
Rot. Bonds9

About 3-ethyl-4,5-dipentyl-1,2,4-triazole

3-ethyl-4,5-dipentyl-1,2,4-triazole (PubChem CID 70574575) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-4,5-dipentyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4,5-dipentyl-1,2,4-triazole
PubChem CID70574575
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-4,5-dipentyl-1,2,4-triazole
SMILESCCCCCc1nnc(CC)n1CCCCC
InChIInChI=1S/C14H27N3/c1-4-7-9-11-14-16-15-13(6-3)17(14)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyHTXUSSRSIDYOFH-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.76
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 3-ethyl-4,5-dipentyl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4,5-dipentyl-1,2,4-triazole (CID 70574575) is 3-ethyl-4,5-dipentyl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4,5-dipentyl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4,5-dipentyl-1,2,4-triazole is CCCCCc1nnc(CC)n1CCCCC.
What is the InChIKey of 3-ethyl-4,5-dipentyl-1,2,4-triazole?
The InChIKey is HTXUSSRSIDYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-9-11-14-16-15-13(6-3)17(14)12-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dipentyl-1,2,4-triazole?
3-ethyl-4,5-dipentyl-1,2,4-triazole has a molecular weight of 237.39 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dipentyl-1,2,4-triazole is sourced from PubChem (CID 70574575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).