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

C17H11F3N6 — CID 10237056

IUPAC4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)11-3-1-4-12(9-11)24-16-21-8-6-14(25-16)13-10-23-26-15(13)5-2-7-22-26/h1-10H,(H,21,24,25)
InChIKeyVKVKUKGJNTVGRG-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.95
Rot. Bonds3

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

4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 10237056) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID10237056
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC Name4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)11-3-1-4-12(9-11)24-16-21-8-6-14(25-16)13-10-23-26-15(13)5-2-7-22-26/h1-10H,(H,21,24,25)
InChIKeyVKVKUKGJNTVGRG-UHFFFAOYSA-N
XLogP3.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.95
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-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 10237056) is 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1.
What is the InChIKey of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is VKVKUKGJNTVGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-17(19,20)11-3-1-4-12(9-11)24-16-21-8-6-14(25-16)13-10-23-26-15(13)5-2-7-22-26/h1-10H,(H,21,24,25).
What are the key properties of 4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-pyrazolo[1,5-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 356.31 g/mol, XLogP of 3.95, 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-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 10237056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).