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

C12H15N3S — CID 117146448

IUPAC8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(C3CCCSC3)nnc12
InChIInChI=1S/C12H15N3S/c1-9-4-2-6-15-11(9)13-14-12(15)10-5-3-7-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyFMSGWLKLTIIMAI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.65
Rot. Bonds1

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

8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146448) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146448
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(C3CCCSC3)nnc12
InChIInChI=1S/C12H15N3S/c1-9-4-2-6-15-11(9)13-14-12(15)10-5-3-7-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyFMSGWLKLTIIMAI-UHFFFAOYSA-N
XLogP2.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146221
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
3-(thian-3-yl)imidazo[1,5-a]pyridin-8-ol
CID 117146445
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
8-chloro-3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146509
7-methyl-3-(thian-3-yl)imidazo[1,5-a]pyridine
CID 117143992
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146433
8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136976
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
[3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145724
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146448) is 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(C3CCCSC3)nnc12.
What is the InChIKey of 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FMSGWLKLTIIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-4-2-6-15-11(9)13-14-12(15)10-5-3-7-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3.
What are the key properties of 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 233.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).