5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine

C20H24N4O3 — CID 44579399

IUPAC5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
InChIKeyCMWAFGVDYAWHSS-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.58
Rot. Bonds8

About 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine

5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 44579399) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID44579399
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
InChIKeyCMWAFGVDYAWHSS-UHFFFAOYSA-N
XLogP3.58
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 44579399) is 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine is CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1.
What is the InChIKey of 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is CMWAFGVDYAWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 368.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethoxymethyl)-5-(4-ethoxy-3-methylphenyl)-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 44579399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).