1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C9H10N4OS — CID 10242652

IUPAC1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCSc1nc2ncc(C(C)=O)c(C)n2n1
InChIInChI=1S/C9H10N4OS/c1-5-7(6(2)14)4-10-8-11-9(15-3)12-13(5)8/h4H,1-3H3
InChIKeyKXLXFSXGNMWWNP-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.36
Rot. Bonds2

About 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 10242652) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID10242652
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCSc1nc2ncc(C(C)=O)c(C)n2n1
InChIInChI=1S/C9H10N4OS/c1-5-7(6(2)14)4-10-8-11-9(15-3)12-13(5)8/h4H,1-3H3
InChIKeyKXLXFSXGNMWWNP-UHFFFAOYSA-N
XLogP1.36
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 10242652) is 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CSc1nc2ncc(C(C)=O)c(C)n2n1.
What is the InChIKey of 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is KXLXFSXGNMWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-7(6(2)14)4-10-8-11-9(15-3)12-13(5)8/h4H,1-3H3.
What are the key properties of 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 10242652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).