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

C17H19N5S — CID 134128188

IUPAC8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CC=CN2NC(CCc3nc(-c4cccs4)cn3C)=NC12
InChIInChI=1S/C17H19N5S/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/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyMSDWYJRINGTFHM-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.10
Rot. Bonds4

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

8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134128188) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134128188
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1=CC=CN2NC(CCc3nc(-c4cccs4)cn3C)=NC12
InChIInChI=1S/C17H19N5S/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/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyMSDWYJRINGTFHM-UHFFFAOYSA-N
XLogP3.10
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
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)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 134128188) is 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[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)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is CC1=CC=CN2NC(CCc3nc(-c4cccs4)cn3C)=NC12.
What is the InChIKey of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MSDWYJRINGTFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/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/h3-6,9-11,17H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 325.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 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)ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134128188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).