[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

C8H5F7N6 — CID 3124957

IUPAC[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C8H5F7N6/c9-6(10,7(11,12)8(13,14)15)5-19-18-4-2-1-3(17-16)20-21(4)5/h1-2H,16H2,(H,17,20)
InChIKeyBFKKEPHKHJCDST-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.70
Rot. Bonds3

About [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (PubChem CID 3124957) has the molecular formula C8H5F7N6 and a molecular weight of 318.16 g/mol. Its IUPAC name is [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.

Molecular Properties

Compound Name[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
PubChem CID3124957
Molecular FormulaC8H5F7N6
Molecular Weight318.16 g/mol
Exact Mass318.05
IUPAC Name[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
SMILESNNc1ccc2nnc(C(F)(F)C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C8H5F7N6/c9-6(10,7(11,12)8(13,14)15)5-19-18-4-2-1-3(17-16)20-21(4)5/h1-2H,16H2,(H,17,20)
InChIKeyBFKKEPHKHJCDST-UHFFFAOYSA-N
XLogP1.70
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

{[1,2,4]Triazolo[4,3-b]pyridazin-6-yl}hydrazine
CID 4264519
3-(Trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
CID 4915708
6-(1-Pyrrolidinyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1476857
N-[3-(Perfluoropropyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylamine
CID 3124959
6-Piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 683253
6-Hydrazinyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 612763
N-tert-butyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47135604
N-butyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 334712
6-Hydrazinyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 12583717
6-Chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 609068
Pyridazine-3,6-dione, 1-(3-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,2-dihydro-
CID 1205234
[1,2,4]Triazolo[4,3-b]pyridazine, 6-iodo-3-trifluoromethyl-
CID 1260911

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The IUPAC name of [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine (CID 3124957) is [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine.
What is the SMILES notation for [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The canonical SMILES for [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is NNc1ccc2nnc(C(F)(F)C(F)(F)C(F)(F)F)n2n1.
What is the InChIKey of [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
The InChIKey is BFKKEPHKHJCDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7N6/c9-6(10,7(11,12)8(13,14)15)5-19-18-4-2-1-3(17-16)20-21(4)5/h1-2H,16H2,(H,17,20).
What are the key properties of [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine?
[3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine has a molecular weight of 318.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine is sourced from PubChem (CID 3124957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).