1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole

C17H25N3O — CID 112717955

IUPAC1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H25N3O/c1-6-14(10-15-11-20(7-2)19-18-15)16-8-13(4)17(21-5)9-12(16)3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyUSSDGLHIWKXONF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.66
Rot. Bonds6

About 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole

1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole (PubChem CID 112717955) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole
PubChem CID112717955
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H25N3O/c1-6-14(10-15-11-20(7-2)19-18-15)16-8-13(4)17(21-5)9-12(16)3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyUSSDGLHIWKXONF-UHFFFAOYSA-N
XLogP3.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]-2H-triazole
CID 112717954
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
CID 112719120
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole?
The IUPAC name of 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole (CID 112717955) is 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole is CCC(Cc1cn(CC)nn1)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole?
The InChIKey is USSDGLHIWKXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-14(10-15-11-20(7-2)19-18-15)16-8-13(4)17(21-5)9-12(16)3/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole?
1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole has a molecular weight of 287.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole is sourced from PubChem (CID 112717955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).