[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

C19H20F3N3O4 — CID 7613897

IUPAC[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C19H20F3N3O4/c1-4-24(5-2)16(27)11-29-18(28)17-15(26)9-12(3)25(23-17)14-8-6-7-13(10-14)19(20,21)22/h6-10H,4-5,11H2,1-3H3
InChIKeyCURZSRZDDMTFGV-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.58
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (PubChem CID 7613897) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
PubChem CID7613897
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C19H20F3N3O4/c1-4-24(5-2)16(27)11-29-18(28)17-15(26)9-12(3)25(23-17)14-8-6-7-13(10-14)19(20,21)22/h6-10H,4-5,11H2,1-3H3
InChIKeyCURZSRZDDMTFGV-UHFFFAOYSA-N
XLogP2.58
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (CID 7613897) is [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is CCN(CC)C(=O)COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The InChIKey is CURZSRZDDMTFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-4-24(5-2)16(27)11-29-18(28)17-15(26)9-12(3)25(23-17)14-8-6-7-13(10-14)19(20,21)22/h6-10H,4-5,11H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
[2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate has a molecular weight of 411.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 7613897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).