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

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

2-chloro-5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]pyridine
CID 154686617
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
CID 22603030
5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole
CID 154686601
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide
CID 142659880
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)aniline
CID 154686613
1-(3-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
CID 55019460
ethyl 2-phenyl-2-(1,2,4-triazol-1-yl)acetate
CID 106676925
3-[4-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]anilino]-2-fluorophenyl]propanoic acid
CID 154686623
1-(3-methoxyphenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
CID 55018404
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40573311
1-[(R)-phenyl-(4-phenylphenyl)methyl]-1,2,4-triazole
CID 7429146
(NZ)-N-[(4R)-4-phenyl-4-(1,2,4-triazol-1-yl)butan-2-ylidene]hydroxylamine
CID 40530681

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).