4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole

C18H27N3 — CID 112717076

IUPAC4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
SMILESCCc1ccc(CC)c(C(CC)Cc2cn(CC)nn2)c1
InChIInChI=1S/C18H27N3/c1-5-14-9-10-15(6-2)18(11-14)16(7-3)12-17-13-21(8-4)20-19-17/h9-11,13,16H,5-8,12H2,1-4H3
InChIKeyLIMLPCIADIKBLC-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds7

About 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole

4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole (PubChem CID 112717076) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
PubChem CID112717076
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
SMILESCCc1ccc(CC)c(C(CC)Cc2cn(CC)nn2)c1
InChIInChI=1S/C18H27N3/c1-5-14-9-10-15(6-2)18(11-14)16(7-3)12-17-13-21(8-4)20-19-17/h9-11,13,16H,5-8,12H2,1-4H3
InChIKeyLIMLPCIADIKBLC-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
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
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
CID 112717704
1-ethyl-4-[2-(3-methylsulfonylphenyl)butyl]triazole
CID 112717690
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole
CID 112717955
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-ethyl-4-[[3-(2-methylpropyl)phenyl]methyl]triazole
CID 126551634
bis(1,4-diethyltriazole);ethane
CID 160569546

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole (CID 112717076) is 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole is CCc1ccc(CC)c(C(CC)Cc2cn(CC)nn2)c1.
What is the InChIKey of 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole?
The InChIKey is LIMLPCIADIKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-14-9-10-15(6-2)18(11-14)16(7-3)12-17-13-21(8-4)20-19-17/h9-11,13,16H,5-8,12H2,1-4H3.
What are the key properties of 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole?
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole has a molecular weight of 285.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole is sourced from PubChem (CID 112717076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).