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

C16H16N4 — CID 72839633

IUPAC3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCCc1ccc(-c2cc(C)cnc2-n2cnnc2)cc1
InChIInChI=1S/C16H16N4/c1-3-13-4-6-14(7-5-13)15-8-12(2)9-17-16(15)20-10-18-19-11-20/h4-11H,3H2,1-2H3
InChIKeyLLJNERAGTIZIIY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds3

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

3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 72839633) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID72839633
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCCc1ccc(-c2cc(C)cnc2-n2cnnc2)cc1
InChIInChI=1S/C16H16N4/c1-3-13-4-6-14(7-5-13)15-8-12(2)9-17-16(15)20-10-18-19-11-20/h4-11H,3H2,1-2H3
InChIKeyLLJNERAGTIZIIY-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine (CID 72839633) is 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is CCc1ccc(-c2cc(C)cnc2-n2cnnc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is LLJNERAGTIZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-13-4-6-14(7-5-13)15-8-12(2)9-17-16(15)20-10-18-19-11-20/h4-11H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine?
3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 264.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-methyl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 72839633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).