4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one

C7H7F4N3O — CID 106294600

IUPAC4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)C(F)F)cn[nH]1
InChIInChI=1S/C7H7F4N3O/c8-6(9)7(10,11)3-12-4-1-5(15)14-13-2-4/h1-2,6H,3H2,(H2,12,14,15)
InChIKeyABPHCCROGGHHLG-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.08
Rot. Bonds4

About 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one

4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one (PubChem CID 106294600) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one
PubChem CID106294600
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)C(F)F)cn[nH]1
InChIInChI=1S/C7H7F4N3O/c8-6(9)7(10,11)3-12-4-1-5(15)14-13-2-4/h1-2,6H,3H2,(H2,12,14,15)
InChIKeyABPHCCROGGHHLG-UHFFFAOYSA-N
XLogP1.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one (CID 106294600) is 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one is O=c1cc(NCC(F)(F)C(F)F)cn[nH]1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one?
The InChIKey is ABPHCCROGGHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-6(9)7(10,11)3-12-4-1-5(15)14-13-2-4/h1-2,6H,3H2,(H2,12,14,15).
What are the key properties of 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one?
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one has a molecular weight of 225.14 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 106294600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).