6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H9N3OS — CID 21034697

IUPAC6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nc2cc[nH]n2c(=O)c1C
InChIInChI=1S/C8H9N3OS/c1-5-7(13-2)10-6-3-4-9-11(6)8(5)12/h3-4,9H,1-2H3
InChIKeyRNUZGYPQSDEJHM-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.05
Rot. Bonds1

About 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 21034697) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID21034697
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nc2cc[nH]n2c(=O)c1C
InChIInChI=1S/C8H9N3OS/c1-5-7(13-2)10-6-3-4-9-11(6)8(5)12/h3-4,9H,1-2H3
InChIKeyRNUZGYPQSDEJHM-UHFFFAOYSA-N
XLogP1.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 21034697) is 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1nc2cc[nH]n2c(=O)c1C.
What is the InChIKey of 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RNUZGYPQSDEJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-7(13-2)10-6-3-4-9-11(6)8(5)12/h3-4,9H,1-2H3.
What are the key properties of 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 195.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 21034697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).