8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17N3S — CID 117136981

IUPAC8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CC3CCCSC3)nc12
InChIInChI=1S/C13H17N3S/c1-10-4-2-6-16-13(10)14-12(15-16)8-11-5-3-7-17-9-11/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyWLOGBMNLYIZWQV-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.72
Rot. Bonds2

About 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136981) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136981
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CC3CCCSC3)nc12
InChIInChI=1S/C13H17N3S/c1-10-4-2-6-16-13(10)14-12(15-16)8-11-5-3-7-17-9-11/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyWLOGBMNLYIZWQV-UHFFFAOYSA-N
XLogP2.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136854
8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136976
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136208
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
8-methyl-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136072
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117136981) is 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2nc(CC3CCCSC3)nc12.
What is the InChIKey of 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WLOGBMNLYIZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-4-2-6-16-13(10)14-12(15-16)8-11-5-3-7-17-9-11/h2,4,6,11H,3,5,7-9H2,1H3.
What are the key properties of 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 247.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).