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

C18H19N3O — CID 159664615

IUPAC5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(CC)Cc1nc2cccc(-c3ccc(OC)cc3)n2n1
InChIInChI=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
InChIKeyBTFZPZQGDYKEFI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.91
Rot. Bonds5

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 Name5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159664615
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(CC)Cc1nc2cccc(-c3ccc(OC)cc3)n2n1
InChIInChI=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
InChIKeyBTFZPZQGDYKEFI-UHFFFAOYSA-N
XLogP3.91
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).