5-thiophen-3-yl-2H-triazole-4-carboxylic acid

C7H5N3O2S — CID 121199559

IUPAC5-thiophen-3-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccsc1
InChIInChI=1S/C7H5N3O2S/c11-7(12)6-5(8-10-9-6)4-1-2-13-3-4/h1-3H,(H,11,12)(H,8,9,10)
InChIKeyFXMDCKCWFGJYCU-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.23
Rot. Bonds2

About 5-thiophen-3-yl-2H-triazole-4-carboxylic acid

5-thiophen-3-yl-2H-triazole-4-carboxylic acid (PubChem CID 121199559) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-thiophen-3-yl-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-3-yl-2H-triazole-4-carboxylic acid
PubChem CID121199559
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name5-thiophen-3-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccsc1
InChIInChI=1S/C7H5N3O2S/c11-7(12)6-5(8-10-9-6)4-1-2-13-3-4/h1-3H,(H,11,12)(H,8,9,10)
InChIKeyFXMDCKCWFGJYCU-UHFFFAOYSA-N
XLogP1.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol
CID 174977260
5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid
CID 130963902
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
5-(5-bromothiophen-2-yl)-2H-triazole-4-carboxylic acid
CID 83665111
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
CID 121211165
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
CID 42874270

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-thiophen-3-yl-2H-triazole-4-carboxylic acid (CID 121199559) is 5-thiophen-3-yl-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-thiophen-3-yl-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-thiophen-3-yl-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1-c1ccsc1.
What is the InChIKey of 5-thiophen-3-yl-2H-triazole-4-carboxylic acid?
The InChIKey is FXMDCKCWFGJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-7(12)6-5(8-10-9-6)4-1-2-13-3-4/h1-3H,(H,11,12)(H,8,9,10).
What are the key properties of 5-thiophen-3-yl-2H-triazole-4-carboxylic acid?
5-thiophen-3-yl-2H-triazole-4-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 121199559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).