2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C10H10N6OS2 — CID 24850835

IUPAC2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCSc1nnc(CSc2nc3nc(C)ccn3n2)o1
InChIInChI=1S/C10H10N6OS2/c1-6-3-4-16-8(11-6)12-9(15-16)19-5-7-13-14-10(17-7)18-2/h3-4H,5H2,1-2H3
InChIKeyFQFDFQBTUYPAIM-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.83
Rot. Bonds4

About 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 24850835) has the molecular formula C10H10N6OS2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID24850835
Molecular FormulaC10H10N6OS2
Molecular Weight294.37 g/mol
Exact Mass294.04
IUPAC Name2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCSc1nnc(CSc2nc3nc(C)ccn3n2)o1
InChIInChI=1S/C10H10N6OS2/c1-6-3-4-16-8(11-6)12-9(15-16)19-5-7-13-14-10(17-7)18-2/h3-4H,5H2,1-2H3
InChIKeyFQFDFQBTUYPAIM-UHFFFAOYSA-N
XLogP1.83
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole 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 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 24850835) is 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is CSc1nnc(CSc2nc3nc(C)ccn3n2)o1.
What is the InChIKey of 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is FQFDFQBTUYPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS2/c1-6-3-4-16-8(11-6)12-9(15-16)19-5-7-13-14-10(17-7)18-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 294.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24850835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).