1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C14H12F3N3O3 — CID 121066991

IUPAC1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1=O
InChIInChI=1S/C14H12F3N3O3/c1-2-20-12(21)8-7-10(19-20)13(22)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,22)
InChIKeyMBYZFMXQFPCPLF-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.41
Rot. Bonds4

About 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 121066991) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID121066991
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1=O
InChIInChI=1S/C14H12F3N3O3/c1-2-20-12(21)8-7-10(19-20)13(22)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,22)
InChIKeyMBYZFMXQFPCPLF-UHFFFAOYSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121063835
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 60566678
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 121066991) is 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is MBYZFMXQFPCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-2-20-12(21)8-7-10(19-20)13(22)18-9-5-3-4-6-11(9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,22).
What are the key properties of 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).