N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C14H12F3N3O2 — CID 17418801

IUPACN,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C14H12F3N3O2/c1-8-6-11(21)12(13(22)18-2)19-20(8)10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H,18,22)
InChIKeyULNSVVAPSFDCKT-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.92
Rot. Bonds2

About N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 17418801) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID17418801
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C14H12F3N3O2/c1-8-6-11(21)12(13(22)18-2)19-20(8)10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H,18,22)
InChIKeyULNSVVAPSFDCKT-UHFFFAOYSA-N
XLogP1.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
CID 1471970
4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481279
N-methyl-1-(4-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481294
1-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxamide
CID 2081748
3-[3-(dimethylamino)prop-2-enoyl]-1-[4-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
CID 2745040
3-((E)-3-Dimethylamino-acryloyl)-1-(4-trifluoromethyl-phenyl)-1H-pyridazin-4-one
CID 5704110
US11690850, Example 29
CID 156391443
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 17538268
1-(2-fluorophenyl)-6-methyl-4-oxo-N-pentan-2-ylpyridazine-3-carboxamide
CID 24239362
N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24620769
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxamide
CID 42161810

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 17418801) is N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O.
What is the InChIKey of N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ULNSVVAPSFDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-8-6-11(21)12(13(22)18-2)19-20(8)10-5-3-4-9(7-10)14(15,16)17/h3-7H,1-2H3,(H,18,22).
What are the key properties of N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 17418801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).