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

C10H9N5OS — CID 43586910

IUPAC3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C10H9N5OS/c11-8-6-2-1-5(3-7(6)14-9(8)16)17-10-12-4-13-15-10/h1-4,8H,11H2,(H,14,16)(H,12,13,15)
InChIKeyIUPRJFNUQKAGEH-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.91
Rot. Bonds2

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

3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 43586910) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID43586910
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C10H9N5OS/c11-8-6-2-1-5(3-7(6)14-9(8)16)17-10-12-4-13-15-10/h1-4,8H,11H2,(H,14,16)(H,12,13,15)
InChIKeyIUPRJFNUQKAGEH-UHFFFAOYSA-N
XLogP0.91
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione
CID 80758919
5-Amino-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 43383200
5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43451965
6-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-indole-2,3-dione
CID 43586483
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indole-2,3-dione
CID 43586495
3-Amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586903
3-(Methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586904
3-(Ethylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586905
6-(1-Methyltetrazol-5-yl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586906
3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586911
3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586912
3-(propylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
CID 43586913

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (CID 43586910) is 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21.
What is the InChIKey of 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is IUPRJFNUQKAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-8-6-2-1-5(3-7(6)14-9(8)16)17-10-12-4-13-15-10/h1-4,8H,11H2,(H,14,16)(H,12,13,15).
What are the key properties of 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 247.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).