5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one

C10H7FN4O2S — CID 80757899

IUPAC5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncn[nH]3)c(F)cc2C1O
InChIInChI=1S/C10H7FN4O2S/c11-5-1-4-6(14-9(17)8(4)16)2-7(5)18-10-12-3-13-15-10/h1-3,8,16H,(H,14,17)(H,12,13,15)
InChIKeyCDUPDYDACFYEMU-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.08
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 80757899) has the molecular formula C10H7FN4O2S and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID80757899
Molecular FormulaC10H7FN4O2S
Molecular Weight266.26 g/mol
Exact Mass266.03
IUPAC Name5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncn[nH]3)c(F)cc2C1O
InChIInChI=1S/C10H7FN4O2S/c11-5-1-4-6(14-9(17)8(4)16)2-7(5)18-10-12-3-13-15-10/h1-3,8,16H,(H,14,17)(H,12,13,15)
InChIKeyCDUPDYDACFYEMU-UHFFFAOYSA-N
XLogP1.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one 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-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (CID 80757899) is 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ncn[nH]3)c(F)cc2C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is CDUPDYDACFYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2S/c11-5-1-4-6(14-9(17)8(4)16)2-7(5)18-10-12-3-13-15-10/h1-3,8,16H,(H,14,17)(H,12,13,15).
What are the key properties of 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 266.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80757899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).