3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H4F3N5 — CID 115022764

IUPAC3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(10)11-1-12-5(2)14-13-3/h1H,(H3,10,11,12,13,14)
InChIKeyIBUOVLYBEDSDKE-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.95
Rot. Bonds

About 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115022764) has the molecular formula C6H4F3N5 and a molecular weight of 203.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115022764
Molecular FormulaC6H4F3N5
Molecular Weight203.13 g/mol
Exact Mass203.04
IUPAC Name3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(10)11-1-12-5(2)14-13-3/h1H,(H3,10,11,12,13,14)
InChIKeyIBUOVLYBEDSDKE-UHFFFAOYSA-N
XLogP0.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 115022764) is 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(C(F)(F)F)c12.
What is the InChIKey of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IBUOVLYBEDSDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(10)11-1-12-5(2)14-13-3/h1H,(H3,10,11,12,13,14).
What are the key properties of 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 203.13 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115022764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).