3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C16H18F3N3O2 — CID 3073151

IUPAC3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(OCCN(C)C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O2/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFOZFZVPBCBFFCX-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.50
Rot. Bonds5

About 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 3073151) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID3073151
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(OCCN(C)C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N3O2/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFOZFZVPBCBFFCX-UHFFFAOYSA-N
XLogP2.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 3073151) is 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cc(=O)c(OCCN(C)C)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is FOZFZVPBCBFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 341.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 3073151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).