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

C7H3F3N4O — CID 140873600

IUPAC5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one
SMILESO=C1N=Nc2cnc(CC(F)(F)F)nc21
InChIInChI=1S/C7H3F3N4O/c8-7(9,10)1-4-11-2-3-5(12-4)6(15)14-13-3/h2H,1H2
InChIKeyXUYZEINGVAETQT-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.82
Rot. Bonds1

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

5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one (PubChem CID 140873600) has the molecular formula C7H3F3N4O and a molecular weight of 216.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one
PubChem CID140873600
Molecular FormulaC7H3F3N4O
Molecular Weight216.12 g/mol
Exact Mass216.03
IUPAC Name5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one
SMILESO=C1N=Nc2cnc(CC(F)(F)F)nc21
InChIInChI=1S/C7H3F3N4O/c8-7(9,10)1-4-11-2-3-5(12-4)6(15)14-13-3/h2H,1H2
InChIKeyXUYZEINGVAETQT-UHFFFAOYSA-N
XLogP1.82
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one?
The IUPAC name of 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one (CID 140873600) is 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one is O=C1N=Nc2cnc(CC(F)(F)F)nc21.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one?
The InChIKey is XUYZEINGVAETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O/c8-7(9,10)1-4-11-2-3-5(12-4)6(15)14-13-3/h2H,1H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one?
5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one has a molecular weight of 216.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-3-one is sourced from PubChem (CID 140873600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).