1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole

C20H23N3O — CID 112718617

IUPAC1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
SMILESCCOc1ccc(C(C)Cc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N3O/c1-3-24-20-11-9-18(10-12-20)16(2)13-19-15-23(22-21-19)14-17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUKWGJUDRYNQVKW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.07
Rot. Bonds7

About 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole

1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole (PubChem CID 112718617) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
PubChem CID112718617
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
SMILESCCOc1ccc(C(C)Cc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N3O/c1-3-24-20-11-9-18(10-12-20)16(2)13-19-15-23(22-21-19)14-17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUKWGJUDRYNQVKW-UHFFFAOYSA-N
XLogP4.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[2-(3,4-dimethylphenyl)propyl]triazole
CID 112717972
1-benzyl-4-[2-(3,4-difluorophenyl)propyl]triazole
CID 112719017
1-benzyl-4-[2-(4-methoxy-2-methylphenyl)propyl]triazole
CID 112719043
1-(furan-3-ylmethyl)-4-[(2S)-2-phenylpropyl]triazole
CID 95227892
4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide
CID 56715134
2-[1-(1-benzyltriazol-4-yl)propan-2-yl]-6-methoxyphenol
CID 112718418
1,4-dibenzyltriazole
CID 56663361
2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]ethane-1,1,2-tricarbonitrile
CID 135398345
dimethyl 2-[(1-benzyltriazol-4-yl)methyl]propanedioate
CID 132562921
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
4-[2,2-bis(diethoxyphosphoryl)ethyl]-1-[[4-[[4-[2,2-bis(diethoxyphosphoryl)ethyl]triazol-1-yl]methyl]phenyl]methyl]triazole
CID 16753512
4-[2-(4-tert-butylphenyl)propyl]-1-ethyltriazole
CID 112718136

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole?
The IUPAC name of 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole (CID 112718617) is 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole.
What is the SMILES notation for 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole?
The canonical SMILES for 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole is CCOc1ccc(C(C)Cc2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole?
The InChIKey is UKWGJUDRYNQVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-24-20-11-9-18(10-12-20)16(2)13-19-15-23(22-21-19)14-17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3.
What are the key properties of 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole?
1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole has a molecular weight of 321.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole is sourced from PubChem (CID 112718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).