1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole

C14H19N3 — CID 140995716

IUPAC1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole
SMILESCCC(CC)C(c1ccccc1)n1cncn1
InChIInChI=1S/C14H19N3/c1-3-12(4-2)14(17-11-15-10-16-17)13-8-6-5-7-9-13/h5-12,14H,3-4H2,1-2H3
InChIKeyJBFJCVDZEWCCMM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole

1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole (PubChem CID 140995716) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole
PubChem CID140995716
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole
SMILESCCC(CC)C(c1ccccc1)n1cncn1
InChIInChI=1S/C14H19N3/c1-3-12(4-2)14(17-11-15-10-16-17)13-8-6-5-7-9-13/h5-12,14H,3-4H2,1-2H3
InChIKeyJBFJCVDZEWCCMM-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole?
The IUPAC name of 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole (CID 140995716) is 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole is CCC(CC)C(c1ccccc1)n1cncn1.
What is the InChIKey of 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole?
The InChIKey is JBFJCVDZEWCCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12(4-2)14(17-11-15-10-16-17)13-8-6-5-7-9-13/h5-12,14H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole?
1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole has a molecular weight of 229.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole is sourced from PubChem (CID 140995716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).