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

C8H2ClF7N4 — CID 609068

IUPAC6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H2ClF7N4/c9-3-1-2-4-17-18-5(20(4)19-3)6(10,11)7(12,13)8(14,15)16/h1-2H
InChIKeyAAIRZZFLVBAKJP-UHFFFAOYSA-N
MW322.57 g/mol
LogP3.07
Rot. Bonds2

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

6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 609068) has the molecular formula C8H2ClF7N4 and a molecular weight of 322.57 g/mol. Its IUPAC name is 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID609068
Molecular FormulaC8H2ClF7N4
Molecular Weight322.57 g/mol
Exact Mass321.99
IUPAC Name6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H2ClF7N4/c9-3-1-2-4-17-18-5(20(4)19-3)6(10,11)7(12,13)8(14,15)16/h1-2H
InChIKeyAAIRZZFLVBAKJP-UHFFFAOYSA-N
XLogP3.07
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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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
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
N-[3-(Perfluoropropyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylamine
CID 3124959
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
[3-(Perfluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
CID 3124957
6-Chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 4146965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 609068) is 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AAIRZZFLVBAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF7N4/c9-3-1-2-4-17-18-5(20(4)19-3)6(10,11)7(12,13)8(14,15)16/h1-2H.
What are the key properties of 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 322.57 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 609068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).