1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone

C17H19F3N8O2 — CID 133330300

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)CC(C)O1
InChIInChI=1S/C17H19F3N8O2/c1-10-6-26(7-11(2)30-10)15(29)9-27-8-12(5-21-27)22-13-3-4-14-23-24-16(17(18,19)20)28(14)25-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,22,25)
InChIKeyQRLODXDHSPBEKV-UHFFFAOYSA-N
MW424.39 g/mol
LogP1.72
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone (PubChem CID 133330300) has the molecular formula C17H19F3N8O2 and a molecular weight of 424.39 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone
PubChem CID133330300
Molecular FormulaC17H19F3N8O2
Molecular Weight424.39 g/mol
Exact Mass424.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)CC(C)O1
InChIInChI=1S/C17H19F3N8O2/c1-10-6-26(7-11(2)30-10)15(29)9-27-8-12(5-21-27)22-13-3-4-14-23-24-16(17(18,19)20)28(14)25-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,22,25)
InChIKeyQRLODXDHSPBEKV-UHFFFAOYSA-N
XLogP1.72
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone (CID 133330300) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone is CC1CN(C(=O)Cn2cc(Nc3ccc4nnc(C(F)(F)F)n4n3)cn2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone?
The InChIKey is QRLODXDHSPBEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8O2/c1-10-6-26(7-11(2)30-10)15(29)9-27-8-12(5-21-27)22-13-3-4-14-23-24-16(17(18,19)20)28(14)25-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone has a molecular weight of 424.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 133330300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).