6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H17N3OS — CID 117137940

IUPAC6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(CC3CCSCC3)n2c1
InChIInChI=1S/C13H17N3OS/c1-17-11-2-3-12-14-15-13(16(12)9-11)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyWJDMBODYPZJWKR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.42
Rot. Bonds3

About 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117137940) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117137940
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(CC3CCSCC3)n2c1
InChIInChI=1S/C13H17N3OS/c1-17-11-2-3-12-14-15-13(16(12)9-11)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyWJDMBODYPZJWKR-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 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138014
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine
CID 117128899
3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138870
6-methoxy-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 105491253
methyl 8-chloro-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393648
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105517
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140093
methyl 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117144980
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
6-methoxy-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117137929

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117137940) is 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2nnc(CC3CCSCC3)n2c1.
What is the InChIKey of 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WJDMBODYPZJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-11-2-3-12-14-15-13(16(12)9-11)8-10-4-6-18-7-5-10/h2-3,9-10H,4-8H2,1H3.
What are the key properties of 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-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 6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).