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

C19H21N3O4 — CID 46237316

IUPAC5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCCOc1ccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-5-26-15-8-6-13(7-9-15)19-20-12-21-22(19)14-10-16(23-2)18(25-4)17(11-14)24-3/h6-12H,5H2,1-4H3
InChIKeyCIBBUNAWVBNDQV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds7

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

5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (PubChem CID 46237316) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
PubChem CID46237316
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILESCCOc1ccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-5-26-15-8-6-13(7-9-15)19-20-12-21-22(19)14-10-16(23-2)18(25-4)17(11-14)24-3/h6-12H,5H2,1-4H3
InChIKeyCIBBUNAWVBNDQV-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-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole (CID 46237316) is 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is CCOc1ccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
The InChIKey is CIBBUNAWVBNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-26-15-8-6-13(7-9-15)19-20-12-21-22(19)14-10-16(23-2)18(25-4)17(11-14)24-3/h6-12H,5H2,1-4H3.
What are the key properties of 5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole?
5-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-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-(3,4,5-trimethoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 46237316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).