methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C12H9N3O2S — CID 82565529

IUPACmethyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2cccs2)n2ncnc12
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-4-5-9(10-3-2-6-18-10)15-11(8)13-7-14-15/h2-7H,1H3
InChIKeyMVDZIILGCUZIDO-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.24
Rot. Bonds2

About methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82565529) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82565529
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Namemethyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1ccc(-c2cccs2)n2ncnc12
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-4-5-9(10-3-2-6-18-10)15-11(8)13-7-14-15/h2-7H,1H3
InChIKeyMVDZIILGCUZIDO-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

methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4767067
methyl 2-[[3,5-dimethyl-4-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19406852
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
2-methylsulfonylethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 47079378
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416757
ethyl 5-carbamoyl-4-methyl-2-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 19416686
N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19454409

Frequently Asked Questions

What is the IUPAC name of methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82565529) is methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1ccc(-c2cccs2)n2ncnc12.
What is the InChIKey of methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is MVDZIILGCUZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-17-12(16)8-4-5-9(10-3-2-6-18-10)15-11(8)13-7-14-15/h2-7H,1H3.
What are the key properties of methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-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 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82565529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).