6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C8H8N4OS — CID 135472830

IUPAC6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h2,4H,1,3H2,(H2,9,10,11,12,13)
InChIKeyXVMNMLNJNSMBOL-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.92
Rot. Bonds3

About 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135472830) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135472830
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h2,4H,1,3H2,(H2,9,10,11,12,13)
InChIKeyXVMNMLNJNSMBOL-UHFFFAOYSA-N
XLogP0.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Allopurinol
CID 135401907
Happ
CID 135403386
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472838
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-(isopentylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472839
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(2-Oxo-2-piperidin-1-ylethyl)sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135517184
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl-
CID 382390
N-tert-butyl-2-({4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
CID 135472824
N,N-diethyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472826

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135472830) is 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is C=CCSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XVMNMLNJNSMBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h2,4H,1,3H2,(H2,9,10,11,12,13).
What are the key properties of 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 208.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135472830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).