3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine

C16H16N4O — CID 56708786

IUPAC3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCCOc1ccccc1-c1cc(C)cnc1-n1cnnc1
InChIInChI=1S/C16H16N4O/c1-3-21-15-7-5-4-6-13(15)14-8-12(2)9-17-16(14)20-10-18-19-11-20/h4-11H,3H2,1-2H3
InChIKeyZMJSGOINEIUCAN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine

3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 56708786) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID56708786
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCCOc1ccccc1-c1cc(C)cnc1-n1cnnc1
InChIInChI=1S/C16H16N4O/c1-3-21-15-7-5-4-6-13(15)14-8-12(2)9-17-16(14)20-10-18-19-11-20/h4-11H,3H2,1-2H3
InChIKeyZMJSGOINEIUCAN-UHFFFAOYSA-N
XLogP3.04
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
CID 72839633
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3-(2-ethoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridine
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3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133040
2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
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CID 84761609
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3950226
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole
CID 70801967
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (CID 56708786) is 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is CCOc1ccccc1-c1cc(C)cnc1-n1cnnc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is ZMJSGOINEIUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-21-15-7-5-4-6-13(15)14-8-12(2)9-17-16(14)20-10-18-19-11-20/h4-11H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 56708786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).