6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine

C6H3F3N4 — CID 69243964

IUPAC6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2cn[nH]c2n1
InChIInChI=1S/C6H3F3N4/c7-6(8,9)5-10-1-3-2-11-13-4(3)12-5/h1-2H,(H,10,11,12,13)
InChIKeyYLHJICKMWMIRJE-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.37
Rot. Bonds

About 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine

6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 69243964) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID69243964
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2cn[nH]c2n1
InChIInChI=1S/C6H3F3N4/c7-6(8,9)5-10-1-3-2-11-13-4(3)12-5/h1-2H,(H,10,11,12,13)
InChIKeyYLHJICKMWMIRJE-UHFFFAOYSA-N
XLogP1.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine (CID 69243964) is 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine is FC(F)(F)c1ncc2cn[nH]c2n1.
What is the InChIKey of 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is YLHJICKMWMIRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)5-10-1-3-2-11-13-4(3)12-5/h1-2H,(H,10,11,12,13).
What are the key properties of 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 188.11 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 69243964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).