3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one

C6H6F3N3O — CID 121205025

IUPAC3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
SMILESO=c1ccc(NCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-2-5(13)12-11-4/h1-2H,3H2,(H,10,11)(H,12,13)
InChIKeyPJPDRDHWUGELDX-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.74
Rot. Bonds2

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

3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one (PubChem CID 121205025) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
PubChem CID121205025
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
SMILESO=c1ccc(NCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-2-5(13)12-11-4/h1-2H,3H2,(H,10,11)(H,12,13)
InChIKeyPJPDRDHWUGELDX-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 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one (CID 121205025) is 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one is O=c1ccc(NCC(F)(F)F)n[nH]1.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
The InChIKey is PJPDRDHWUGELDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-10-4-1-2-5(13)12-11-4/h1-2H,3H2,(H,10,11)(H,12,13).
What are the key properties of 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one?
3-(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 3-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 121205025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).