1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one

C7H8N4O2S — CID 135863371

IUPAC1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1cnn2CCO
InChIInChI=1S/C7H8N4O2S/c12-2-1-11-5-4(3-8-11)6(13)10-7(14)9-5/h3,12H,1-2H2,(H2,9,10,13,14)
InChIKeyORKYZKHJOXOZQW-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.23
Rot. Bonds2

About 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135863371) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135863371
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1cnn2CCO
InChIInChI=1S/C7H8N4O2S/c12-2-1-11-5-4(3-8-11)6(13)10-7(14)9-5/h3,12H,1-2H2,(H2,9,10,13,14)
InChIKeyORKYZKHJOXOZQW-UHFFFAOYSA-N
XLogP-0.23
TPSA86.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 223690
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
1-(2-hydroxyethyl)-6-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135408738
6-(2-hydroxyethylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135431259
4-Hydroxy-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol
CID 135436410
5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135740460
7-Sulfanylidene-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),10-trien-5-one
CID 54070733
5-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxamide
CID 68383072
7-Ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione
CID 70531747
1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 135408512
4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135621396

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135863371) is 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c2c1cnn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ORKYZKHJOXOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c12-2-1-11-5-4(3-8-11)6(13)10-7(14)9-5/h3,12H,1-2H2,(H2,9,10,13,14).
What are the key properties of 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 212.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).