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

C17H17N5S — CID 53250193

IUPAC5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C)nn12
InChIInChI=1S/C17H17N5S/c1-12-5-3-7-17-19-15(20-22(12)17)8-9-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeySCXHSTXIHIMVHR-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.28
Rot. Bonds4

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

5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250193) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250193
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C)nn12
InChIInChI=1S/C17H17N5S/c1-12-5-3-7-17-19-15(20-22(12)17)8-9-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeySCXHSTXIHIMVHR-UHFFFAOYSA-N
XLogP3.28
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250193) is 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C)nn12.
What is the InChIKey of 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SCXHSTXIHIMVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-12-5-3-7-17-19-15(20-22(12)17)8-9-16-18-13(11-21(16)2)14-6-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 323.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).