6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

C12H12N4O2S — CID 63836210

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nnc(Sc2ccc3c(c2)NC(=O)C3O)n1C
InChIInChI=1S/C12H12N4O2S/c1-6-14-15-12(16(6)2)19-7-3-4-8-9(5-7)13-11(18)10(8)17/h3-5,10,17H,1-2H3,(H,13,18)
InChIKeyPYSAZQHEKRGZCH-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.26
Rot. Bonds2

About 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 63836210) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID63836210
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nnc(Sc2ccc3c(c2)NC(=O)C3O)n1C
InChIInChI=1S/C12H12N4O2S/c1-6-14-15-12(16(6)2)19-7-3-4-8-9(5-7)13-11(18)10(8)17/h3-5,10,17H,1-2H3,(H,13,18)
InChIKeyPYSAZQHEKRGZCH-UHFFFAOYSA-N
XLogP1.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-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 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 63836210) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is Cc1nnc(Sc2ccc3c(c2)NC(=O)C3O)n1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is PYSAZQHEKRGZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-6-14-15-12(16(6)2)19-7-3-4-8-9(5-7)13-11(18)10(8)17/h3-5,10,17H,1-2H3,(H,13,18).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 276.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 63836210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).