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

C12H13N5OS — CID 43586912

IUPAC3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C12H13N5OS/c1-2-13-10-8-4-3-7(5-9(8)16-11(10)18)19-12-14-6-15-17-12/h3-6,10,13H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyFNOJUTVGYBBNAA-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.56
Rot. Bonds4

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

3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 43586912) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID43586912
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C12H13N5OS/c1-2-13-10-8-4-3-7(5-9(8)16-11(10)18)19-12-14-6-15-17-12/h3-6,10,13H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyFNOJUTVGYBBNAA-UHFFFAOYSA-N
XLogP1.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (CID 43586912) is 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is FNOJUTVGYBBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-13-10-8-4-3-7(5-9(8)16-11(10)18)19-12-14-6-15-17-12/h3-6,10,13H,2H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 275.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).