2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

C12H9F3N4O3 — CID 153140345

IUPAC2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)22-10-3-1-7(5-17-10)8-2-4-11(21)19(18-8)6-9(16)20/h1-5H,6H2,(H2,16,20)
InChIKeyVYMUFANWJDZTJA-UHFFFAOYSA-N
MW314.22 g/mol
LogP0.69
Rot. Bonds4

About 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 153140345) has the molecular formula C12H9F3N4O3 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
PubChem CID153140345
Molecular FormulaC12H9F3N4O3
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O
InChIInChI=1S/C12H9F3N4O3/c13-12(14,15)22-10-3-1-7(5-17-10)8-2-4-11(21)19(18-8)6-9(16)20/h1-5H,6H2,(H2,16,20)
InChIKeyVYMUFANWJDZTJA-UHFFFAOYSA-N
XLogP0.69
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8698992
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672237
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
2-[3-(6-cyclopropyl-3-pyridinyl)-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-methylcyclobutyl)acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-spiro[2.2]pentan-2-ylacetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide;2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 159028192
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The IUPAC name of 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (CID 153140345) is 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The canonical SMILES for 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(OC(F)(F)F)nc2)ccc1=O.
What is the InChIKey of 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
The InChIKey is VYMUFANWJDZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O3/c13-12(14,15)22-10-3-1-7(5-17-10)8-2-4-11(21)19(18-8)6-9(16)20/h1-5H,6H2,(H2,16,20).
What are the key properties of 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?
2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 314.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 153140345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).