[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine

C9H11F3N4 — CID 123667204

IUPAC[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine
SMILESCC(=C(C)C(F)(F)F)c1ccc(NN)nn1
InChIInChI=1S/C9H11F3N4/c1-5(6(2)9(10,11)12)7-3-4-8(14-13)16-15-7/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyGMNHVGIVYGHDRG-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.12
Rot. Bonds2

About [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine

[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine (PubChem CID 123667204) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine.

Molecular Properties

Compound Name[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine
PubChem CID123667204
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine
SMILESCC(=C(C)C(F)(F)F)c1ccc(NN)nn1
InChIInChI=1S/C9H11F3N4/c1-5(6(2)9(10,11)12)7-3-4-8(14-13)16-15-7/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyGMNHVGIVYGHDRG-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine?
The IUPAC name of [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine (CID 123667204) is [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine.
What is the SMILES notation for [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine?
The canonical SMILES for [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine is CC(=C(C)C(F)(F)F)c1ccc(NN)nn1.
What is the InChIKey of [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine?
The InChIKey is GMNHVGIVYGHDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-5(6(2)9(10,11)12)7-3-4-8(14-13)16-15-7/h3-4H,13H2,1-2H3,(H,14,16).
What are the key properties of [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine?
[6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine has a molecular weight of 232.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine is sourced from PubChem (CID 123667204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).