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

C11H10N4O2S — CID 63812618

IUPAC3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCn1cnnc1Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H10N4O2S/c1-15-5-12-14-11(15)18-6-2-3-7-8(4-6)13-10(17)9(7)16/h2-5,9,16H,1H3,(H,13,17)
InChIKeyULPVORXBRIXBBY-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.95
Rot. Bonds2

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

3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 63812618) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID63812618
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCn1cnnc1Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H10N4O2S/c1-15-5-12-14-11(15)18-6-2-3-7-8(4-6)13-10(17)9(7)16/h2-5,9,16H,1H3,(H,13,17)
InChIKeyULPVORXBRIXBBY-UHFFFAOYSA-N
XLogP0.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 63812618) is 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is Cn1cnnc1Sc1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is ULPVORXBRIXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-15-5-12-14-11(15)18-6-2-3-7-8(4-6)13-10(17)9(7)16/h2-5,9,16H,1H3,(H,13,17).
What are the key properties of 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 262.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63812618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).