4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C12H8F3N3O2 — CID 59436157

IUPAC4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(19)10(17-18)11(16)20/h1-6H,(H2,16,20)
InChIKeyGQQGKBKVFVNQQI-UHFFFAOYSA-N
MW283.21 g/mol
LogP1.35
Rot. Bonds2

About 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 59436157) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID59436157
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(19)10(17-18)11(16)20/h1-6H,(H2,16,20)
InChIKeyGQQGKBKVFVNQQI-UHFFFAOYSA-N
XLogP1.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dimethylaminomethylidene)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436171
3-ethynyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 58072339
3-(1-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479691
3-[C-(benzotriazol-1-yl)-N-phenylcarbonimidoyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 59436266
3-[C-(2-aminoethenyl)-N-(4-chlorophenyl)carbonimidoyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 173483429
5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
3-[1-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479697
4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 63951618
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 59436157) is 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is GQQGKBKVFVNQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(19)10(17-18)11(16)20/h1-6H,(H2,16,20).
What are the key properties of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 59436157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).