6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide

C8H7F4N3O2 — CID 103528798

IUPAC6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)3-13-6(17)4-1-2-5(16)15-14-4/h1-2,7H,3H2,(H,13,17)(H,15,16)
InChIKeyMDCAPRBCSSKTDY-UHFFFAOYSA-N
MW253.16 g/mol
LogP0.40
Rot. Bonds4

About 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide (PubChem CID 103528798) has the molecular formula C8H7F4N3O2 and a molecular weight of 253.16 g/mol. Its IUPAC name is 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide
PubChem CID103528798
Molecular FormulaC8H7F4N3O2
Molecular Weight253.16 g/mol
Exact Mass253.05
IUPAC Name6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)3-13-6(17)4-1-2-5(16)15-14-4/h1-2,7H,3H2,(H,13,17)(H,15,16)
InChIKeyMDCAPRBCSSKTDY-UHFFFAOYSA-N
XLogP0.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
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
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
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
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
1-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 55712911
6-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 62922503

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide (CID 103528798) is 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide is O=C(NCC(F)(F)C(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide?
The InChIKey is MDCAPRBCSSKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)3-13-6(17)4-1-2-5(16)15-14-4/h1-2,7H,3H2,(H,13,17)(H,15,16).
What are the key properties of 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide has a molecular weight of 253.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103528798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).