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

C6H3F3N4 — CID 69243962

IUPAC1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)n1ncc2cncnc21
InChIInChI=1S/C6H3F3N4/c7-6(8,9)13-5-4(2-12-13)1-10-3-11-5/h1-3H
InChIKeyPCINVLADFOJCPP-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.30
Rot. Bonds

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

1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 69243962) has the molecular formula C6H3F3N4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID69243962
Molecular FormulaC6H3F3N4
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)n1ncc2cncnc21
InChIInChI=1S/C6H3F3N4/c7-6(8,9)13-5-4(2-12-13)1-10-3-11-5/h1-3H
InChIKeyPCINVLADFOJCPP-UHFFFAOYSA-N
XLogP1.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine (CID 69243962) is 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine is FC(F)(F)n1ncc2cncnc21.
What is the InChIKey of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is PCINVLADFOJCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4/c7-6(8,9)13-5-4(2-12-13)1-10-3-11-5/h1-3H.
What are the key properties of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 188.11 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 69243962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).