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

C11H11N5OS — CID 43586911

IUPAC3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C11H11N5OS/c1-12-9-7-3-2-6(4-8(7)15-10(9)17)18-11-13-5-14-16-11/h2-5,9,12H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVZXQQGVKQYPQSM-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.17
Rot. Bonds3

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

3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 43586911) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID43586911
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21
InChIInChI=1S/C11H11N5OS/c1-12-9-7-3-2-6(4-8(7)15-10(9)17)18-11-13-5-14-16-11/h2-5,9,12H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVZXQQGVKQYPQSM-UHFFFAOYSA-N
XLogP1.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one (CID 43586911) is 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3ncn[nH]3)ccc21.
What is the InChIKey of 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is VZXQQGVKQYPQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-12-9-7-3-2-6(4-8(7)15-10(9)17)18-11-13-5-14-16-11/h2-5,9,12H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one?
3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 261.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).