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

C18H20N4O2 — CID 44579400

IUPAC5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C
InChIInChI=1S/C18H20N4O2/c1-5-24-16-8-6-14(10-12(16)2)18-21-20-13(3)22(18)15-7-9-17(23-4)19-11-15/h6-11H,5H2,1-4H3
InChIKeyPRGZEIMZQNQYBW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.35
Rot. Bonds5

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

5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 44579400) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID44579400
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C
InChIInChI=1S/C18H20N4O2/c1-5-24-16-8-6-14(10-12(16)2)18-21-20-13(3)22(18)15-7-9-17(23-4)19-11-15/h6-11H,5H2,1-4H3
InChIKeyPRGZEIMZQNQYBW-UHFFFAOYSA-N
XLogP3.35
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 44579400) is 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is CCOc1ccc(-c2nnc(C)n2-c2ccc(OC)nc2)cc1C.
What is the InChIKey of 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is PRGZEIMZQNQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-5-24-16-8-6-14(10-12(16)2)18-21-20-13(3)22(18)15-7-9-17(23-4)19-11-15/h6-11H,5H2,1-4H3.
What are the key properties of 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 324.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 44579400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).