4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine

C11H14N4S — CID 16729521

IUPAC4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
SMILESC=CCSc1ncnc2c1cnn2CCC
InChIInChI=1S/C11H14N4S/c1-3-5-15-10-9(7-14-15)11(13-8-12-10)16-6-4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyYHMDRVVJGKKYQO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.51
Rot. Bonds5

About 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine

4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine (PubChem CID 16729521) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
PubChem CID16729521
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine
SMILESC=CCSc1ncnc2c1cnn2CCC
InChIInChI=1S/C11H14N4S/c1-3-5-15-10-9(7-14-15)11(13-8-12-10)16-6-4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyYHMDRVVJGKKYQO-UHFFFAOYSA-N
XLogP2.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine (CID 16729521) is 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine is C=CCSc1ncnc2c1cnn2CCC.
What is the InChIKey of 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YHMDRVVJGKKYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-5-15-10-9(7-14-15)11(13-8-12-10)16-6-4-2/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine?
4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine has a molecular weight of 234.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfanyl-1-propylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).