3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C7H5F3N4O — CID 137106907

IUPAC3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(CC(F)(F)F)c12
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)1-3-4-5(14-13-3)11-2-12-6(4)15/h2H,1H2,(H2,11,12,13,14,15)
InChIKeyGCGOMBGIBYFZAJ-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.75
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137106907) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137106907
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(CC(F)(F)F)c12
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)1-3-4-5(14-13-3)11-2-12-6(4)15/h2H,1H2,(H2,11,12,13,14,15)
InChIKeyGCGOMBGIBYFZAJ-UHFFFAOYSA-N
XLogP0.75
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137106907) is 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2n[nH]c(CC(F)(F)F)c12.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is GCGOMBGIBYFZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)1-3-4-5(14-13-3)11-2-12-6(4)15/h2H,1H2,(H2,11,12,13,14,15).
What are the key properties of 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 218.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137106907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).