5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H16N4O — CID 162048496

About 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162048496) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162048496
• Molecular Formula: C18H16N4O
• Molecular Weight: 304.35 g/mol
• Exact Mass: 304.13
• IUPAC Name: 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1ccc(C2=CCC(/C=C/c3nc4cccc(C)n4n3)=N2)o1
• InChI: InChI=1S/C18H16N4O/c1-12-4-3-5-18-20-17(21-22(12)18)11-8-14-7-9-15(19-14)16-10-6-13(2)23-16/h3-6,8-11H,7H2,1-2H3/b11-8+
• InChIKey: JGZZCXCNJKTZJH-DHZHZOJOSA-N
• XLogP: 3.84
• TPSA: 55.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.35
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 162048496) is 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C2=CCC(/C=C/c3nc4cccc(C)n4n3)=N2)o1.

What is the InChIKey of 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is JGZZCXCNJKTZJH-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-4-3-5-18-20-17(21-22(12)18)11-8-14-7-9-15(19-14)16-10-6-13(2)23-16/h3-6,8-11H,7H2,1-2H3/b11-8+.

What are the key properties of 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?

5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 304.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162048496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).