4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole

C20H23N3O5 — CID 59430225

IUPAC4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H23N3O5/c1-6-28-13-9-7-12(8-10-13)16-17(22-23-21-16)14-11-15(24-2)19(26-4)20(27-5)18(14)25-3/h7-11H,6H2,1-5H3,(H,21,22,23)
InChIKeyQANWYKXWHQOHRP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.57
Rot. Bonds8

About 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole

4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole (PubChem CID 59430225) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
PubChem CID59430225
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
SMILESCCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H23N3O5/c1-6-28-13-9-7-12(8-10-13)16-17(22-23-21-16)14-11-15(24-2)19(26-4)20(27-5)18(14)25-3/h7-11H,6H2,1-5H3,(H,21,22,23)
InChIKeyQANWYKXWHQOHRP-UHFFFAOYSA-N
XLogP3.57
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-butoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430339
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
4-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2196284

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole?
The IUPAC name of 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole (CID 59430225) is 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole is CCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2OC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole?
The InChIKey is QANWYKXWHQOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-6-28-13-9-7-12(8-10-13)16-17(22-23-21-16)14-11-15(24-2)19(26-4)20(27-5)18(14)25-3/h7-11H,6H2,1-5H3,(H,21,22,23).
What are the key properties of 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole?
4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole has a molecular weight of 385.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole is sourced from PubChem (CID 59430225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).