4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine

C7H5F3N4O — CID 141418736

IUPAC4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)COc1ncnc2[nH]ncc12
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)2-15-6-4-1-13-14-5(4)11-3-12-6/h1,3H,2H2,(H,11,12,13,14)
InChIKeyXPSLHZSYYXVBSG-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.29
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine

4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 141418736) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID141418736
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)COc1ncnc2[nH]ncc12
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)2-15-6-4-1-13-14-5(4)11-3-12-6/h1,3H,2H2,(H,11,12,13,14)
InChIKeyXPSLHZSYYXVBSG-UHFFFAOYSA-N
XLogP1.29
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine (CID 141418736) is 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine is FC(F)(F)COc1ncnc2[nH]ncc12.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is XPSLHZSYYXVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)2-15-6-4-1-13-14-5(4)11-3-12-6/h1,3H,2H2,(H,11,12,13,14).
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine?
4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 218.14 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 141418736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).