1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine

C11H14N4S — CID 16729541

IUPAC1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESC=CCn1ncc2c(SCCC)ncnc21
InChIInChI=1S/C11H14N4S/c1-3-5-15-10-9(7-14-15)11(13-8-12-10)16-6-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyQEXMSHWLLDGZLA-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.51
Rot. Bonds5

About 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine

1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 16729541) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID16729541
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESC=CCn1ncc2c(SCCC)ncnc21
InChIInChI=1S/C11H14N4S/c1-3-5-15-10-9(7-14-15)11(13-8-12-10)16-6-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyQEXMSHWLLDGZLA-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 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine (CID 16729541) is 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine is C=CCn1ncc2c(SCCC)ncnc21.
What is the InChIKey of 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QEXMSHWLLDGZLA-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/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine?
1-prop-2-enyl-4-propylsulfanylpyrazolo[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 1-prop-2-enyl-4-propylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).