8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H15N3OS — CID 117145458

IUPAC8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(CC3CCCS3)nnc12
InChIInChI=1S/C12H15N3OS/c1-16-10-5-2-6-15-11(13-14-12(10)15)8-9-4-3-7-17-9/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCVSACYGEFDZAGU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.18
Rot. Bonds3

About 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145458) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145458
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(CC3CCCS3)nnc12
InChIInChI=1S/C12H15N3OS/c1-16-10-5-2-6-15-11(13-14-12(10)15)8-9-4-3-7-17-9/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCVSACYGEFDZAGU-UHFFFAOYSA-N
XLogP2.18
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139222
8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145480
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
[3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138281
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117138003
3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148599

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117145458) is 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(CC3CCCS3)nnc12.
What is the InChIKey of 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CVSACYGEFDZAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-10-5-2-6-15-11(13-14-12(10)15)8-9-4-3-7-17-9/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 249.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).