5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine

C₁₈H₁₉N₃O — CID 159664615

About 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159664615) has the molecular formula C₁₈H₁₉N₃O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 159664615
• Molecular Formula: C₁₈H₁₉N₃O
• Molecular Weight: 293.37 g/mol
• Exact Mass: 293.15
• IUPAC Name: 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C=C(CC)Cc1nc2cccc(-c3ccc(OC)cc3)n2n1
• InChI: InChI=1S/C18H19N3O/c1-4-13(2)12-17-19-18-7-5-6-16(21(18)20-17)14-8-10-15(22-3)11-9-14/h5-11H,2,4,12H2,1,3H3
• InChIKey: BTFZPZQGDYKEFI-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 39.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.37
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 159664615) is 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine is C=C(CC)Cc1nc2cccc(-c3ccc(OC)cc3)n2n1.

What is the InChIKey of 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is BTFZPZQGDYKEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-13(2)12-17-19-18-7-5-6-16(21(18)20-17)14-8-10-15(22-3)11-9-14/h5-11H,2,4,12H2,1,3H3.

What are the key properties of 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine?

5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 159664615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159664615 — identifiers, structure, computed properties (public domain)

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