6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one

C15H10F3N5O2 — CID 17496723

IUPAC6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc2N1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)14-21-20-11-4-6-13(22-23(11)14)25-9-2-3-10-8(7-9)1-5-12(24)19-10/h2-4,6-7H,1,5H2,(H,19,24)
InChIKeyCVJKDNILUXVCMN-UHFFFAOYSA-N
MW349.27 g/mol
LogP2.82
Rot. Bonds2

About 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one

6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17496723) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID17496723
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC Name6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc2N1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)14-21-20-11-4-6-13(22-23(11)14)25-9-2-3-10-8(7-9)1-5-12(24)19-10/h2-4,6-7H,1,5H2,(H,19,24)
InChIKeyCVJKDNILUXVCMN-UHFFFAOYSA-N
XLogP2.82
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24605030
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-3-carbonitrile
CID 24693753
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
6-(2-amino-6-chloropyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 112725503
6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900549
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974
6-(4-amino-1-methylpyrazol-3-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 103079039
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80917841
6-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80865473
6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one (CID 17496723) is 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc2N1.
What is the InChIKey of 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CVJKDNILUXVCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c16-15(17,18)14-21-20-11-4-6-13(22-23(11)14)25-9-2-3-10-8(7-9)1-5-12(24)19-10/h2-4,6-7H,1,5H2,(H,19,24).
What are the key properties of 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 349.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17496723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).