8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine

C16H17N5S — CID 134128139

IUPAC8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CC=CN2NC(CCc3ncc(-c4cccs4)[nH]3)=NC12
InChIInChI=1S/C16H17N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10,16H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyVMWIPOCRLILPQY-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.09
Rot. Bonds4

About 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134128139) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134128139
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CC=CN2NC(CCc3ncc(-c4cccs4)[nH]3)=NC12
InChIInChI=1S/C16H17N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10,16H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyVMWIPOCRLILPQY-UHFFFAOYSA-N
XLogP3.09
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 134128139) is 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is CC1=CC=CN2NC(CCc3ncc(-c4cccs4)[nH]3)=NC12.
What is the InChIKey of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VMWIPOCRLILPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10,16H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 311.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134128139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).