2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione

C10H5F3N6O2 — CID 1205234

IUPAC2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2ccc3nnc(C(F)(F)F)n3n2)[nH]1
InChIInChI=1S/C10H5F3N6O2/c11-10(12,13)9-15-14-5-1-2-6(16-19(5)9)18-8(21)4-3-7(20)17-18/h1-4H,(H,17,20)
InChIKeyRJIBPVMEBTUXPQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP-0.02
Rot. Bonds1

About 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione

2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione (PubChem CID 1205234) has the molecular formula C10H5F3N6O2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione
PubChem CID1205234
Molecular FormulaC10H5F3N6O2
Molecular Weight298.18 g/mol
Exact Mass298.04
IUPAC Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2ccc3nnc(C(F)(F)F)n3n2)[nH]1
InChIInChI=1S/C10H5F3N6O2/c11-10(12,13)9-15-14-5-1-2-6(16-19(5)9)18-8(21)4-3-7(20)17-18/h1-4H,(H,17,20)
InChIKeyRJIBPVMEBTUXPQ-UHFFFAOYSA-N
XLogP-0.02
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

[3-(Perfluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
CID 3124957
6-Hydrazinyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 612763
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-5-ol
CID 71685915
6-Hydrazinyl-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 556242
3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide
CID 4702671
N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide
CID 17458580
N-carbamoyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 71853701
5-Chloro-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrimidine-2,4-dione
CID 71983548
1-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridazin-1-ium-3,6-dione
CID 78222752
1,1-Dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
CID 106950566
N-[3-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl]acetamide
CID 133303947
2-[2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]ethyl]-1H-pyrimidin-6-one
CID 146149034

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione (CID 1205234) is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(-c2ccc3nnc(C(F)(F)F)n3n2)[nH]1.
What is the InChIKey of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione?
The InChIKey is RJIBPVMEBTUXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N6O2/c11-10(12,13)9-15-14-5-1-2-6(16-19(5)9)18-8(21)4-3-7(20)17-18/h1-4H,(H,17,20).
What are the key properties of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione?
2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione has a molecular weight of 298.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 1205234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).