methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

C12H9N3O2S — CID 117142735

IUPACmethyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(-c3cccs3)n12
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-4-2-6-10-13-14-11(15(8)10)9-5-3-7-18-9/h2-7H,1H3
InChIKeyCSIZICOCAPCQDA-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.24
Rot. Bonds2

About methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (PubChem CID 117142735) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
PubChem CID117142735
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Namemethyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(-c3cccs3)n12
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-4-2-6-10-13-14-11(15(8)10)9-5-3-7-18-9/h2-7H,1H3
InChIKeyCSIZICOCAPCQDA-UHFFFAOYSA-N
XLogP2.24
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
methyl 3-(1,1-dioxothian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142477
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
methyl (2S)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190424
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303
methyl 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 7648774
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413

Frequently Asked Questions

What is the IUPAC name of methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (CID 117142735) is methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is COC(=O)c1cccc2nnc(-c3cccs3)n12.
What is the InChIKey of methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The InChIKey is CSIZICOCAPCQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-17-12(16)8-4-2-6-10-13-14-11(15(8)10)9-5-3-7-18-9/h2-7H,1H3.
What are the key properties of methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).