4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C12H9F3N6 — CID 10286242

IUPAC4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)7-17-11-16-5-3-9(20-11)8-6-19-21-10(8)2-1-4-18-21/h1-6H,7H2,(H,16,17,20)
InChIKeyJOSDAWJORYYQIX-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.16
Rot. Bonds3

About 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 10286242) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID10286242
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)7-17-11-16-5-3-9(20-11)8-6-19-21-10(8)2-1-4-18-21/h1-6H,7H2,(H,16,17,20)
InChIKeyJOSDAWJORYYQIX-UHFFFAOYSA-N
XLogP2.16
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 10286242) is 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CNc1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is JOSDAWJORYYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)7-17-11-16-5-3-9(20-11)8-6-19-21-10(8)2-1-4-18-21/h1-6H,7H2,(H,16,17,20).
What are the key properties of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 294.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-b]pyridazin-3-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 10286242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).