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

C11H11N5OS — CID 43383200

IUPAC5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCn1cnnc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H11N5OS/c1-16-5-13-15-11(16)18-9-4-8-6(2-7(9)12)3-10(17)14-8/h2,4-5H,3,12H2,1H3,(H,14,17)
InChIKeyYZGHWGMNEJNJJQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.04
Rot. Bonds2

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

5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 43383200) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID43383200
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCn1cnnc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H11N5OS/c1-16-5-13-15-11(16)18-9-4-8-6(2-7(9)12)3-10(17)14-8/h2,4-5H,3,12H2,1H3,(H,14,17)
InChIKeyYZGHWGMNEJNJJQ-UHFFFAOYSA-N
XLogP1.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-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-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 43383200) is 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is Cn1cnnc1Sc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is YZGHWGMNEJNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-16-5-13-15-11(16)18-9-4-8-6(2-7(9)12)3-10(17)14-8/h2,4-5H,3,12H2,1H3,(H,14,17).
What are the key properties of 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 261.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).