1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole

C18H25N3 — CID 112718565

IUPAC1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25N3/c1-3-14(12-18-13-21(4-2)20-19-18)17-10-9-15-7-5-6-8-16(15)11-17/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyJUPJBYYNMABJCN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds5

About 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole

1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole (PubChem CID 112718565) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
PubChem CID112718565
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
SMILESCCC(Cc1cn(CC)nn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25N3/c1-3-14(12-18-13-21(4-2)20-19-18)17-10-9-15-7-5-6-8-16(15)11-17/h9-11,13-14H,3-8,12H2,1-2H3
InChIKeyJUPJBYYNMABJCN-UHFFFAOYSA-N
XLogP3.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
2-(1-ethyltriazol-4-yl)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 136565538
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063923
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole?
The IUPAC name of 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole (CID 112718565) is 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole is CCC(Cc1cn(CC)nn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole?
The InChIKey is JUPJBYYNMABJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14(12-18-13-21(4-2)20-19-18)17-10-9-15-7-5-6-8-16(15)11-17/h9-11,13-14H,3-8,12H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole?
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole has a molecular weight of 283.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole is sourced from PubChem (CID 112718565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).