8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H15N5OS — CID 53251929

IUPAC8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(/C=C/c3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C17H15N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-11H,1-2H3/b6-5+
InChIKeySHNHYTVGTZUQTO-AATRIKPKSA-N
MW337.41 g/mol
LogP3.37
Rot. Bonds4

About 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53251929) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53251929
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(/C=C/c3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C17H15N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-11H,1-2H3/b6-5+
InChIKeySHNHYTVGTZUQTO-AATRIKPKSA-N
XLogP3.37
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53251929) is 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(/C=C/c3nc(-c4ccsc4)cn3C)nc12.
What is the InChIKey of 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SHNHYTVGTZUQTO-AATRIKPKSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-11H,1-2H3/b6-5+.
What are the key properties of 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 337.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53251929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).