4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole

C18H19N3O — CID 132549186

IUPAC4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
SMILESCCOc1ccc(-c2cn(Cc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-3-22-17-9-7-16(8-10-17)18-13-21(20-19-18)12-15-6-4-5-14(2)11-15/h4-11,13H,3,12H2,1-2H3
InChIKeyFZXPGKPZVLTVII-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds5

About 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole

4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole (PubChem CID 132549186) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
PubChem CID132549186
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
SMILESCCOc1ccc(-c2cn(Cc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H19N3O/c1-3-22-17-9-7-16(8-10-17)18-13-21(20-19-18)12-15-6-4-5-14(2)11-15/h4-11,13H,3,12H2,1-2H3
InChIKeyFZXPGKPZVLTVII-UHFFFAOYSA-N
XLogP3.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
CID 166349386
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
(2S)-1-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-2-ol
CID 156767774
(2S)-2-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-1-ol
CID 156767783
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
4-(4-butoxyphenyl)-1-ethyltriazole
CID 13399718
[4-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 86273447

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole?
The IUPAC name of 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole (CID 132549186) is 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole is CCOc1ccc(-c2cn(Cc3cccc(C)c3)nn2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole?
The InChIKey is FZXPGKPZVLTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-22-17-9-7-16(8-10-17)18-13-21(20-19-18)12-15-6-4-5-14(2)11-15/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole?
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole has a molecular weight of 293.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole is sourced from PubChem (CID 132549186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).