6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C7H4ClF3N4 — CID 43144349

IUPAC6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H4ClF3N4/c8-4-1-2-5-12-13-6(15(5)14-4)3-7(9,10)11/h1-2H,3H2
InChIKeyRKHIHLDFDRKWDN-UHFFFAOYSA-N
MW236.58 g/mol
LogP1.88
Rot. Bonds1

About 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144349) has the molecular formula C7H4ClF3N4 and a molecular weight of 236.58 g/mol. Its IUPAC name is 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144349
Molecular FormulaC7H4ClF3N4
Molecular Weight236.58 g/mol
Exact Mass236.01
IUPAC Name6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H4ClF3N4/c8-4-1-2-5-12-13-6(15(5)14-4)3-7(9,10)11/h1-2H,3H2
InChIKeyRKHIHLDFDRKWDN-UHFFFAOYSA-N
XLogP1.88
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.58
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 613657
6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1472385
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 313624
3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine
CID 1482346
6-Chloro-3-[chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazine
CID 1489114
6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 911387
6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 71756812
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine
CID 43144393
6-Chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 39732405
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
6-Hydrazinyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 612763

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144349) is 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)Cc1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RKHIHLDFDRKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N4/c8-4-1-2-5-12-13-6(15(5)14-4)3-7(9,10)11/h1-2H,3H2.
What are the key properties of 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 236.58 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).