2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

C13H11F3N2O2 — CID 164884535

IUPAC2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCOc1ccc(Cn2nccc(C(F)(F)F)c2=O)cc1
InChIInChI=1S/C13H11F3N2O2/c1-20-10-4-2-9(3-5-10)8-18-12(19)11(6-7-17-18)13(14,15)16/h2-7H,8H2,1H3
InChIKeyDYIXCAUHMRZCST-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.32
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 164884535) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID164884535
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCOc1ccc(Cn2nccc(C(F)(F)F)c2=O)cc1
InChIInChI=1S/C13H11F3N2O2/c1-20-10-4-2-9(3-5-10)8-18-12(19)11(6-7-17-18)13(14,15)16/h2-7H,8H2,1H3
InChIKeyDYIXCAUHMRZCST-UHFFFAOYSA-N
XLogP2.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387
2-benzyl-6-(4-methoxystyryl)-3(2H)-pyridazinone
CID 5707547
2-(4-(trifluoromethoxy)benzyl)-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484686
1-[(4-Methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 3841999
(4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6537808
2-{[4-(Trifluoromethoxy)phenyl]methyl}-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-3-one
CID 75465584
2(1H)-Pyridinone, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-
CID 49822131
1-[(4-Methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 138040672
1-butyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 17513577
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyridazine-3-carboxamide
CID 45813157
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45848364

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 164884535) is 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is COc1ccc(Cn2nccc(C(F)(F)F)c2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is DYIXCAUHMRZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-10-4-2-9(3-5-10)8-18-12(19)11(6-7-17-18)13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 284.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 164884535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).