6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione

C10H6N4O2S — CID 43586483

IUPAC6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncn[nH]3)ccc2C1=O
InChIInChI=1S/C10H6N4O2S/c15-8-6-2-1-5(3-7(6)13-9(8)16)17-10-11-4-12-14-10/h1-4H,(H,11,12,14)(H,13,15,16)
InChIKeyVXIRGZPEPIEPRI-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.09
Rot. Bonds2

About 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione

6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 43586483) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID43586483
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncn[nH]3)ccc2C1=O
InChIInChI=1S/C10H6N4O2S/c15-8-6-2-1-5(3-7(6)13-9(8)16)17-10-11-4-12-14-10/h1-4H,(H,11,12,14)(H,13,15,16)
InChIKeyVXIRGZPEPIEPRI-UHFFFAOYSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione 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 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione (CID 43586483) is 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ncn[nH]3)ccc2C1=O.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is VXIRGZPEPIEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-8-6-2-1-5(3-7(6)13-9(8)16)17-10-11-4-12-14-10/h1-4H,(H,11,12,14)(H,13,15,16).
What are the key properties of 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione?
6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 246.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 43586483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).