6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one

C7H9F3N2O2 — CID 67151400

IUPAC6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(CO)=NN1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-12-6(14)2-1-5(3-13)11-12/h13H,1-4H2
InChIKeyIMDHYRBSSLOXQB-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.52
Rot. Bonds2

About 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one

6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one (PubChem CID 67151400) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
PubChem CID67151400
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(CO)=NN1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)4-12-6(14)2-1-5(3-13)11-12/h13H,1-4H2
InChIKeyIMDHYRBSSLOXQB-UHFFFAOYSA-N
XLogP0.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-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 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one (CID 67151400) is 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(CO)=NN1CC(F)(F)F.
What is the InChIKey of 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is IMDHYRBSSLOXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)4-12-6(14)2-1-5(3-13)11-12/h13H,1-4H2.
What are the key properties of 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one?
6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 210.15 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 67151400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).