4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole

C16H23N3 — CID 112718137

IUPAC4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
SMILESCCn1cc(CCc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C16H23N3/c1-5-19-12-15(17-18-19)11-8-13-6-9-14(10-7-13)16(2,3)4/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyODBPLLUDJJPSKW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole

4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole (PubChem CID 112718137) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
PubChem CID112718137
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
SMILESCCn1cc(CCc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C16H23N3/c1-5-19-12-15(17-18-19)11-8-13-6-9-14(10-7-13)16(2,3)4/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyODBPLLUDJJPSKW-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136
4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
CID 112718830
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
2-[4-[4-[2-(1-benzyltriazol-4-yl)ethyl]phenyl]phenyl]-2-methylpropanoic acid
CID 90047737
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468
bis(1,4-diethyltriazole);ethane
CID 160569546
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
4-(bromomethyl)-1-ethyltriazole
CID 62400485
1-[4-(aminomethyl)triazol-1-yl]-3-(4-tert-butylphenyl)propan-2-one
CID 116599800

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole (CID 112718137) is 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole is CCn1cc(CCc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole?
The InChIKey is ODBPLLUDJJPSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19-12-15(17-18-19)11-8-13-6-9-14(10-7-13)16(2,3)4/h6-7,9-10,12H,5,8,11H2,1-4H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole?
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole has a molecular weight of 257.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole is sourced from PubChem (CID 112718137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).