5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H10N4OS — CID 136755995

IUPAC5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCSC1Nc2nc(C)cc(=O)n2N1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3,7,10H,1-2H3,(H,8,9)
InChIKeyORGAXHAAADAWLS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.17
Rot. Bonds1

About 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 136755995) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID136755995
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCSC1Nc2nc(C)cc(=O)n2N1
InChIInChI=1S/C7H10N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3,7,10H,1-2H3,(H,8,9)
InChIKeyORGAXHAAADAWLS-UHFFFAOYSA-N
XLogP0.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 136755995) is 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CSC1Nc2nc(C)cc(=O)n2N1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ORGAXHAAADAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3,7,10H,1-2H3,(H,8,9).
What are the key properties of 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 198.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 136755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).