1-thiophen-3-yltriazole-4-carboxylic acid

C7H5N3O2S — CID 121209097

IUPAC1-thiophen-3-yltriazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H5N3O2S/c11-7(12)6-3-10(9-8-6)5-1-2-13-4-5/h1-4H,(H,11,12)
InChIKeyVAIXKEFFADTHTR-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.03
Rot. Bonds2

About 1-thiophen-3-yltriazole-4-carboxylic acid

1-thiophen-3-yltriazole-4-carboxylic acid (PubChem CID 121209097) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 1-thiophen-3-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-3-yltriazole-4-carboxylic acid
PubChem CID121209097
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name1-thiophen-3-yltriazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H5N3O2S/c11-7(12)6-3-10(9-8-6)5-1-2-13-4-5/h1-4H,(H,11,12)
InChIKeyVAIXKEFFADTHTR-UHFFFAOYSA-N
XLogP1.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yltriazole-4-carboxylic acid?
The IUPAC name of 1-thiophen-3-yltriazole-4-carboxylic acid (CID 121209097) is 1-thiophen-3-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-thiophen-3-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-thiophen-3-yltriazole-4-carboxylic acid is O=C(O)c1cn(-c2ccsc2)nn1.
What is the InChIKey of 1-thiophen-3-yltriazole-4-carboxylic acid?
The InChIKey is VAIXKEFFADTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-7(12)6-3-10(9-8-6)5-1-2-13-4-5/h1-4H,(H,11,12).
What are the key properties of 1-thiophen-3-yltriazole-4-carboxylic acid?
1-thiophen-3-yltriazole-4-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yltriazole-4-carboxylic acid is sourced from PubChem (CID 121209097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).