2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C17H12N4O2S — CID 82565686

IUPAC2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESNc1ccc(-c2nc3c(C(=O)O)ccc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C17H12N4O2S/c18-11-5-3-10(4-6-11)15-19-16-12(17(22)23)7-8-13(21(16)20-15)14-2-1-9-24-14/h1-9H,18H2,(H,22,23)
InChIKeySMVJPJKDUZXGFS-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565686) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565686
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESNc1ccc(-c2nc3c(C(=O)O)ccc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C17H12N4O2S/c18-11-5-3-10(4-6-11)15-19-16-12(17(22)23)7-8-13(21(16)20-15)14-2-1-9-24-14/h1-9H,18H2,(H,22,23)
InChIKeySMVJPJKDUZXGFS-UHFFFAOYSA-N
XLogP3.41
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
4-(4-thiophen-2-ylpyrimidin-2-yl)aniline
CID 116899039
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
2-(2-fluorophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565393
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565686) is 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Nc1ccc(-c2nc3c(C(=O)O)ccc(-c4cccs4)n3n2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is SMVJPJKDUZXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-11-5-3-10(4-6-11)15-19-16-12(17(22)23)7-8-13(21(16)20-15)14-2-1-9-24-14/h1-9H,18H2,(H,22,23).
What are the key properties of 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 336.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).