4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one

C16H17F3N2O2 — CID 67213625

IUPAC4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(CO)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-10(2)8-21-15(23)12(9-22)7-14(20-21)11-3-5-13(6-4-11)16(17,18)19/h3-7,10,22H,8-9H2,1-2H3
InChIKeyGIDPCHBUKRLPCE-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.08
Rot. Bonds4

About 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one

4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 67213625) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID67213625
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(CO)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-10(2)8-21-15(23)12(9-22)7-14(20-21)11-3-5-13(6-4-11)16(17,18)19/h3-7,10,22H,8-9H2,1-2H3
InChIKeyGIDPCHBUKRLPCE-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-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 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one (CID 67213625) is 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one is CC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(CO)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is GIDPCHBUKRLPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-10(2)8-21-15(23)12(9-22)7-14(20-21)11-3-5-13(6-4-11)16(17,18)19/h3-7,10,22H,8-9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one?
4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 326.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 67213625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).