5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid

C10H13N3O5S — CID 62054070

IUPAC5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CS(=O)(=O)CC2O)c1C1CC1
InChIInChI=1S/C10H13N3O5S/c14-7-4-19(17,18)3-6(7)13-9(5-1-2-5)8(10(15)16)11-12-13/h5-7,14H,1-4H2,(H,15,16)
InChIKeyJAGKYNWEARRNBI-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.82
Rot. Bonds3

About 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid

5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid (PubChem CID 62054070) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid
PubChem CID62054070
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CS(=O)(=O)CC2O)c1C1CC1
InChIInChI=1S/C10H13N3O5S/c14-7-4-19(17,18)3-6(7)13-9(5-1-2-5)8(10(15)16)11-12-13/h5-7,14H,1-4H2,(H,15,16)
InChIKeyJAGKYNWEARRNBI-UHFFFAOYSA-N
XLogP-0.82
TPSA122.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid (CID 62054070) is 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid is O=C(O)c1nnn(C2CS(=O)(=O)CC2O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid?
The InChIKey is JAGKYNWEARRNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c14-7-4-19(17,18)3-6(7)13-9(5-1-2-5)8(10(15)16)11-12-13/h5-7,14H,1-4H2,(H,15,16).
What are the key properties of 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 62054070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).