methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C13H15N3O2S — CID 117134480

IUPACmethyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(CC3CCCS3)nc2c1
InChIInChI=1S/C13H15N3O2S/c1-18-13(17)9-4-5-16-12(7-9)14-11(15-16)8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyKKGXJVMIZCEPFD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.95
Rot. Bonds3

About methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117134480) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117134480
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(CC3CCCS3)nc2c1
InChIInChI=1S/C13H15N3O2S/c1-18-13(17)9-4-5-16-12(7-9)14-11(15-16)8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyKKGXJVMIZCEPFD-UHFFFAOYSA-N
XLogP1.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate 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

7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134433
methyl 2-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134728
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129952
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117134480) is methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(CC3CCCS3)nc2c1.
What is the InChIKey of methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is KKGXJVMIZCEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-13(17)9-4-5-16-12(7-9)14-11(15-16)8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117134480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).