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

C17H25N3 — CID 112718136

IUPAC4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
SMILESCCn1cc(CC(C)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H25N3/c1-6-20-12-16(18-19-20)11-13(2)14-7-9-15(10-8-14)17(3,4)5/h7-10,12-13H,6,11H2,1-5H3
InChIKeyKAISQJRZSDVFIV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.94
Rot. Bonds4

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

4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole (PubChem CID 112718136) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
PubChem CID112718136
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
SMILESCCn1cc(CC(C)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H25N3/c1-6-20-12-16(18-19-20)11-13(2)14-7-9-15(10-8-14)17(3,4)5/h7-10,12-13H,6,11H2,1-5H3
InChIKeyKAISQJRZSDVFIV-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
1-Benzyl-4-hexyl-triazole
CID 54772019
1-(Cyclohexylmethyl)-4-phenyltriazole
CID 24793749
N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
CID 132579938
1-Benzyl-3-[(4-tert-butylphenyl)methyl]-4-octyltriazol-1-ium bromide
CID 145985625
(2R)-4-(4-tert-butyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149481187
[3-[(4-Tert-butyltriazol-1-yl)methyl]phenyl]boronic acid
CID 168272272
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-Benzyl-4-cyclohexyl-1 h-1,2,3-triazole
CID 54772021
1-Ethyl-4-phenyltriazole
CID 22944458
1-Benzyl-4-butyl-1H-1,2,3-triazole
CID 24887144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole (CID 112718136) is 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole is CCn1cc(CC(C)c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole?
The InChIKey is KAISQJRZSDVFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-20-12-16(18-19-20)11-13(2)14-7-9-15(10-8-14)17(3,4)5/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole?
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole has a molecular weight of 271.41 g/mol, XLogP of 3.94, 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)propyl]-1-ethyltriazole is sourced from PubChem (CID 112718136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).