3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one

C10H16N4OS — CID 86790374

IUPAC3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Sc2ncnn2C)C1=O
InChIInChI=1S/C10H16N4OS/c1-7(2)14-5-4-8(9(14)15)16-10-11-6-12-13(10)3/h6-8H,4-5H2,1-3H3
InChIKeyGLVVOFHIOSHMED-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.92
Rot. Bonds3

About 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one

3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 86790374) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID86790374
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Sc2ncnn2C)C1=O
InChIInChI=1S/C10H16N4OS/c1-7(2)14-5-4-8(9(14)15)16-10-11-6-12-13(10)3/h6-8H,4-5H2,1-3H3
InChIKeyGLVVOFHIOSHMED-UHFFFAOYSA-N
XLogP0.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one (CID 86790374) is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(Sc2ncnn2C)C1=O.
What is the InChIKey of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GLVVOFHIOSHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(2)14-5-4-8(9(14)15)16-10-11-6-12-13(10)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one?
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 86790374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).