6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid

C7H3F3N4O2 — CID 83387250

IUPAC6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc2ccc(C(F)(F)F)nn12
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-4-11-12-5(6(15)16)14(4)13-3/h1-2H,(H,15,16)
InChIKeyHTRDUIWKBGCFHQ-UHFFFAOYSA-N
MW232.12 g/mol
LogP0.84
Rot. Bonds1

About 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid

6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid (PubChem CID 83387250) has the molecular formula C7H3F3N4O2 and a molecular weight of 232.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid
PubChem CID83387250
Molecular FormulaC7H3F3N4O2
Molecular Weight232.12 g/mol
Exact Mass232.02
IUPAC Name6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc2ccc(C(F)(F)F)nn12
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-4-11-12-5(6(15)16)14(4)13-3/h1-2H,(H,15,16)
InChIKeyHTRDUIWKBGCFHQ-UHFFFAOYSA-N
XLogP0.84
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 118115899
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862
methyl 2-amino-6-(trifluoromethyl)imidazo[1,2-b]pyridazine-3-carboxylate
CID 118115203
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]benzoic acid
CID 67340981
4-[4-(trifluoromethyl)imidazol-1-yl]benzoic acid
CID 175004307
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 95934378
6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606975
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
2,5-dimethyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylic acid
CID 67341490
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid (CID 83387250) is 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid is O=C(O)c1nnc2ccc(C(F)(F)F)nn12.
What is the InChIKey of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid?
The InChIKey is HTRDUIWKBGCFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-4-11-12-5(6(15)16)14(4)13-3/h1-2H,(H,15,16).
What are the key properties of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid?
6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid has a molecular weight of 232.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 83387250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).