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

C6H2BrF3N4 — CID 87178764

IUPAC6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Br)nn12
InChIInChI=1S/C6H2BrF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyZTYVUSJYIULJIE-UHFFFAOYSA-N
MW267.01 g/mol
LogP1.91
Rot. Bonds

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

6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 87178764) has the molecular formula C6H2BrF3N4 and a molecular weight of 267.01 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID87178764
Molecular FormulaC6H2BrF3N4
Molecular Weight267.01 g/mol
Exact Mass265.94
IUPAC Name6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Br)nn12
InChIInChI=1S/C6H2BrF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyZTYVUSJYIULJIE-UHFFFAOYSA-N
XLogP1.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.01
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 612763
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CID 117741433
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CID 139026373
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CID 1260911
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CID 129913942
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CID 13998365
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CID 57355148
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CID 66788432
CID 66788432
CID 86683464
CID 86683464

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 87178764) is 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Br)nn12.
What is the InChIKey of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZTYVUSJYIULJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H.
What are the key properties of 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 267.01 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 87178764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).