6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide

C13H9F3N4O2 — CID 877787

IUPAC6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H9F3N4O2/c14-13(15,16)9-4-2-1-3-8(9)7-17-20-12(22)10-5-6-11(21)19-18-10/h1-7H,(H,19,21)(H,20,22)
InChIKeyOFGWPUQXVHBJPX-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.55
Rot. Bonds3

About 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide

6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide (PubChem CID 877787) has the molecular formula C13H9F3N4O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide
PubChem CID877787
Molecular FormulaC13H9F3N4O2
Molecular Weight310.24 g/mol
Exact Mass310.07
IUPAC Name6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H9F3N4O2/c14-13(15,16)9-4-2-1-3-8(9)7-17-20-12(22)10-5-6-11(21)19-18-10/h1-7H,(H,19,21)(H,20,22)
InChIKeyOFGWPUQXVHBJPX-UHFFFAOYSA-N
XLogP1.55
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-6-pyridazone
CID 75106
6-(4-Fluorophenyl)pyridazin-3-ol
CID 4564862
5-Phenylpyridazin-3(2H)-one
CID 12864815
6-Phenyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 10610059
6-oxo-N'-((1E)-phenylmethylidene)-1,6-dihydropyridazine-3-carbohydrazide
CID 6483743
6-(2-Fluorophenyl)-2,3-dihydropyridazin-3-one
CID 12449543
4-[(E)-3-phenylprop-2-enoyl]-1H-pyridazin-6-one
CID 44407540
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 145977779
4-Methyl-6-phenylpyridazin-3(2H)-one
CID 83319
3-(4-fluorophenyl)-5-methyl-1H-pyridazin-6-one
CID 11298646
6-(2-Methylphenyl)-3(2H)-pyridazinone
CID 33676075
Benzo[h]-cinnolinone
CID 10774261

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide (CID 877787) is 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide is O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide?
The InChIKey is OFGWPUQXVHBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2/c14-13(15,16)9-4-2-1-3-8(9)7-17-20-12(22)10-5-6-11(21)19-18-10/h1-7H,(H,19,21)(H,20,22).
What are the key properties of 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide?
6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 877787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).