3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

C15H21N5OS — CID 24540074

IUPAC3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCSc1nc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C15H21N5OS/c1-10-12(6-7-13(21)19-8-4-5-9-19)11(2)20-14(16-10)17-15(18-20)22-3/h4-9H2,1-3H3
InChIKeyUUJSDPUJCWAEBM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.02
Rot. Bonds4

About 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 24540074) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID24540074
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCSc1nc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C15H21N5OS/c1-10-12(6-7-13(21)19-8-4-5-9-19)11(2)20-14(16-10)17-15(18-20)22-3/h4-9H2,1-3H3
InChIKeyUUJSDPUJCWAEBM-UHFFFAOYSA-N
XLogP2.02
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-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 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 24540074) is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is CSc1nc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1.
What is the InChIKey of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UUJSDPUJCWAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-12(6-7-13(21)19-8-4-5-9-19)11(2)20-14(16-10)17-15(18-20)22-3/h4-9H2,1-3H3.
What are the key properties of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 319.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 24540074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).