4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one

C6H6F3N3O — CID 114391901

IUPAC4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)F)cn[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-5(13)12-11-2-4/h1-2H,3H2,(H2,10,12,13)
InChIKeyJKYZOASVFLTMCW-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.74
Rot. Bonds2

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

4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one (PubChem CID 114391901) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
PubChem CID114391901
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC(F)(F)F)cn[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-5(13)12-11-2-4/h1-2H,3H2,(H2,10,12,13)
InChIKeyJKYZOASVFLTMCW-UHFFFAOYSA-N
XLogP0.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one (CID 114391901) is 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one is O=c1cc(NCC(F)(F)F)cn[nH]1.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The InChIKey is JKYZOASVFLTMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-5(13)12-11-2-4/h1-2H,3H2,(H2,10,12,13).
What are the key properties of 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one has a molecular weight of 193.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).