5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C13H13N5OS — CID 940122

IUPAC5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N
InChIInChI=1S/C13H13N5OS/c1-2-20-13-16-11-10(12(19)17(13)14)8-15-18(11)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeySVTSWFHAZZIJDY-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 940122) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID940122
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N
InChIInChI=1S/C13H13N5OS/c1-2-20-13-16-11-10(12(19)17(13)14)8-15-18(11)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeySVTSWFHAZZIJDY-UHFFFAOYSA-N
XLogP1.41
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 940122) is 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N.
What is the InChIKey of 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SVTSWFHAZZIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-20-13-16-11-10(12(19)17(13)14)8-15-18(11)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3.
What are the key properties of 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 287.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 940122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).