7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H13N3OS — CID 117142917

IUPAC7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCSC3)nnc2c1
InChIInChI=1S/C11H13N3OS/c1-15-9-2-4-14-10(6-9)12-13-11(14)8-3-5-16-7-8/h2,4,6,8H,3,5,7H2,1H3
InChIKeyZYBBSQGOVUOZJL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.96
Rot. Bonds2

About 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117142917) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117142917
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCSC3)nnc2c1
InChIInChI=1S/C11H13N3OS/c1-15-9-2-4-14-10(6-9)12-13-11(14)8-3-5-16-7-8/h2,4,6,8H,3,5,7H2,1H3
InChIKeyZYBBSQGOVUOZJL-UHFFFAOYSA-N
XLogP1.96
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142935
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142983
7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143826
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138737
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
8-chloro-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146221
7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
CID 105436739
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
CID 117251630
7-methoxy-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143112
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117142917) is 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccn2c(C3CCSC3)nnc2c1.
What is the InChIKey of 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZYBBSQGOVUOZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-9-2-4-14-10(6-9)12-13-11(14)8-3-5-16-7-8/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 235.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117142917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).