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

C17H15N5S — CID 67257844

IUPAC8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(C=Cc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C17H15N5S/c1-12-5-3-9-22-17(12)19-15(20-22)7-8-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-11H,1-2H3
InChIKeyQQRXPQJEMQKIPK-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.67
Rot. Bonds3

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

8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67257844) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67257844
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(C=Cc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C17H15N5S/c1-12-5-3-9-22-17(12)19-15(20-22)7-8-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-11H,1-2H3
InChIKeyQQRXPQJEMQKIPK-UHFFFAOYSA-N
XLogP3.67
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 67257844) is 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2nc(C=Cc3nc(-c4cccs4)cn3C)nc12.
What is the InChIKey of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QQRXPQJEMQKIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-5-3-9-22-17(12)19-15(20-22)7-8-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-11H,1-2H3.
What are the key properties of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 321.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67257844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).