5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole

C19H21N3O4 — CID 59430393

IUPAC5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
SMILESCCOc1ccc(-c2cnnn2-c2cc(OC)cc(OC)c2OC)cc1
InChIInChI=1S/C19H21N3O4/c1-5-26-14-8-6-13(7-9-14)17-12-20-21-22(17)16-10-15(23-2)11-18(24-3)19(16)25-4/h6-12H,5H2,1-4H3
InChIKeyKCONVNDRQMSGRB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds7

About 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole

5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole (PubChem CID 59430393) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
PubChem CID59430393
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
SMILESCCOc1ccc(-c2cnnn2-c2cc(OC)cc(OC)c2OC)cc1
InChIInChI=1S/C19H21N3O4/c1-5-26-14-8-6-13(7-9-14)17-12-20-21-22(17)16-10-15(23-2)11-18(24-3)19(16)25-4/h6-12H,5H2,1-4H3
InChIKeyKCONVNDRQMSGRB-UHFFFAOYSA-N
XLogP3.36
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole?
The IUPAC name of 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole (CID 59430393) is 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole is CCOc1ccc(-c2cnnn2-c2cc(OC)cc(OC)c2OC)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole?
The InChIKey is KCONVNDRQMSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-26-14-8-6-13(7-9-14)17-12-20-21-22(17)16-10-15(23-2)11-18(24-3)19(16)25-4/h6-12H,5H2,1-4H3.
What are the key properties of 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole?
5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole has a molecular weight of 355.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 59430393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).