4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one

C10H9F3N6O — CID 17408950

IUPAC4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one
SMILESO=C1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)9-16-15-6-1-2-7(17-19(6)9)18-4-3-14-8(20)5-18/h1-2H,3-5H2,(H,14,20)
InChIKeyXLHGNSYVXWBBLH-UHFFFAOYSA-N
MW286.22 g/mol
LogP0.08
Rot. Bonds1

About 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one

4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one (PubChem CID 17408950) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one
PubChem CID17408950
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one
SMILESO=C1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)9-16-15-6-1-2-7(17-19(6)9)18-4-3-14-8(20)5-18/h1-2H,3-5H2,(H,14,20)
InChIKeyXLHGNSYVXWBBLH-UHFFFAOYSA-N
XLogP0.08
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one (CID 17408950) is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one is O=C1CN(c2ccc3nnc(C(F)(F)F)n3n2)CCN1.
What is the InChIKey of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one?
The InChIKey is XLHGNSYVXWBBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O/c11-10(12,13)9-16-15-6-1-2-7(17-19(6)9)18-4-3-14-8(20)5-18/h1-2H,3-5H2,(H,14,20).
What are the key properties of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one?
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one has a molecular weight of 286.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-2-one is sourced from PubChem (CID 17408950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).