6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H10F3N3O3 — CID 43402110

IUPAC6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2OC(F)(F)F)=NN1
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)21-9-4-2-1-3-7(9)16-11(20)8-5-6-10(19)18-17-8/h1-4H,5-6H2,(H,16,20)(H,18,19)
InChIKeyIREMFKIJPVVSJF-UHFFFAOYSA-N
MW301.22 g/mol
LogP1.79
Rot. Bonds3

About 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43402110) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43402110
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2OC(F)(F)F)=NN1
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)21-9-4-2-1-3-7(9)16-11(20)8-5-6-10(19)18-17-8/h1-4H,5-6H2,(H,16,20)(H,18,19)
InChIKeyIREMFKIJPVVSJF-UHFFFAOYSA-N
XLogP1.79
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258347
4-fluoro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 43358589
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43402110) is 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2OC(F)(F)F)=NN1.
What is the InChIKey of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IREMFKIJPVVSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)21-9-4-2-1-3-7(9)16-11(20)8-5-6-10(19)18-17-8/h1-4H,5-6H2,(H,16,20)(H,18,19).
What are the key properties of 6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 1.79, 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-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43402110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).