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

C9H5F3N6 — CID 713378

IUPAC6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-n3ccnc3)nn12
InChIInChI=1S/C9H5F3N6/c10-9(11,12)8-15-14-6-1-2-7(16-18(6)8)17-4-3-13-5-17/h1-5H
InChIKeyAOEDAVORSZWYLI-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.33
Rot. Bonds1

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

6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 713378) has the molecular formula C9H5F3N6 and a molecular weight of 254.18 g/mol. Its IUPAC name is 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID713378
Molecular FormulaC9H5F3N6
Molecular Weight254.18 g/mol
Exact Mass254.05
IUPAC Name6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-n3ccnc3)nn12
InChIInChI=1S/C9H5F3N6/c10-9(11,12)8-15-14-6-1-2-7(16-18(6)8)17-4-3-13-5-17/h1-5H
InChIKeyAOEDAVORSZWYLI-UHFFFAOYSA-N
XLogP1.33
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 713378) is 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(-n3ccnc3)nn12.
What is the InChIKey of 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AOEDAVORSZWYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N6/c10-9(11,12)8-15-14-6-1-2-7(16-18(6)8)17-4-3-13-5-17/h1-5H.
What are the key properties of 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 254.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 713378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).