5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H17N5S — CID 71059830

IUPAC5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C17H17N5S/c1-11-5-6-12(2)22-17(11)20-15(21-22)8-7-13-10-18-16(19-13)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyMUPUOGZYPSOFHK-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.58
Rot. Bonds4

About 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 71059830) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID71059830
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C17H17N5S/c1-11-5-6-12(2)22-17(11)20-15(21-22)8-7-13-10-18-16(19-13)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyMUPUOGZYPSOFHK-UHFFFAOYSA-N
XLogP3.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 71059830) is 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3cnc(-c4cccs4)[nH]3)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MUPUOGZYPSOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-11-5-6-12(2)22-17(11)20-15(21-22)8-7-13-10-18-16(19-13)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 323.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 71059830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).