6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C9H12N4O2S — CID 135870073

IUPAC6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C9H12N4O2S/c1-2-16-9-11-7-6(8(15)12-9)5-10-13(7)3-4-14/h5,14H,2-4H2,1H3,(H,11,12,15)
InChIKeyIVJLWCXUCJURER-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.22
Rot. Bonds4

About 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135870073) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135870073
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C9H12N4O2S/c1-2-16-9-11-7-6(8(15)12-9)5-10-13(7)3-4-14/h5,14H,2-4H2,1H3,(H,11,12,15)
InChIKeyIVJLWCXUCJURER-UHFFFAOYSA-N
XLogP0.22
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135870073) is 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCSc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IVJLWCXUCJURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-16-9-11-7-6(8(15)12-9)5-10-13(7)3-4-14/h5,14H,2-4H2,1H3,(H,11,12,15).
What are the key properties of 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 240.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135870073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).