6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide

C10H12F3N3O2 — CID 113322123

IUPAC6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h3-4H,1-2,5-6H2,(H,14,18)(H,16,17)
InChIKeyOFTGTHQCZNZSOK-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.23
Rot. Bonds5

About 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide (PubChem CID 113322123) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide
PubChem CID113322123
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h3-4H,1-2,5-6H2,(H,14,18)(H,16,17)
InChIKeyOFTGTHQCZNZSOK-UHFFFAOYSA-N
XLogP1.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 940468
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
N-((1r,4r)-4-aminocyclohexyl)-6-hydroxypyridazine-3-carboxamide
CID 103806098
3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433902
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433907
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 36945824
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide (CID 113322123) is 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide is O=C(NCCCCC(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide?
The InChIKey is OFTGTHQCZNZSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)5-1-2-6-14-9(18)7-3-4-8(17)16-15-7/h3-4H,1-2,5-6H2,(H,14,18)(H,16,17).
What are the key properties of 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).