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

C13H17N3OS — CID 117136147

IUPAC8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CC3CCSCC3)nc12
InChIInChI=1S/C13H17N3OS/c1-17-11-3-2-6-16-13(11)14-12(15-16)9-10-4-7-18-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyBWWYOHSIPRAXIL-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.42
Rot. Bonds3

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

8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136147) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136147
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CC3CCSCC3)nc12
InChIInChI=1S/C13H17N3OS/c1-17-11-3-2-6-16-13(11)14-12(15-16)9-10-4-7-18-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyBWWYOHSIPRAXIL-UHFFFAOYSA-N
XLogP2.42
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136154
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136208
2-[(1-ethylpiperidin-3-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136928
8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136667
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192
8-methoxy-2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136536
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
8-methyl-2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136854
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107
8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 18672038
8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117136147) is 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(CC3CCSCC3)nc12.
What is the InChIKey of 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BWWYOHSIPRAXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-11-3-2-6-16-13(11)14-12(15-16)9-10-4-7-18-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 263.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).