5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one

C16H15F4N3O3 — CID 72853241

IUPAC5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1c(F)c(F)c(Cn2ncc(N3CCOCC3)cc2=O)c(F)c1F
InChIInChI=1S/C16H15F4N3O3/c1-25-16-14(19)12(17)10(13(18)15(16)20)8-23-11(24)6-9(7-21-23)22-2-4-26-5-3-22/h6-7H,2-5,8H2,1H3
InChIKeyBKOJAQLZHZSTNQ-UHFFFAOYSA-N
MW373.31 g/mol
LogP1.69
Rot. Bonds4

About 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one

5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 72853241) has the molecular formula C16H15F4N3O3 and a molecular weight of 373.31 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID72853241
Molecular FormulaC16H15F4N3O3
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1c(F)c(F)c(Cn2ncc(N3CCOCC3)cc2=O)c(F)c1F
InChIInChI=1S/C16H15F4N3O3/c1-25-16-14(19)12(17)10(13(18)15(16)20)8-23-11(24)6-9(7-21-23)22-2-4-26-5-3-22/h6-7H,2-5,8H2,1H3
InChIKeyBKOJAQLZHZSTNQ-UHFFFAOYSA-N
XLogP1.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080
2-[(1-ethylimidazol-2-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 45240872
2-[(5-bromo-2-pyridinyl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114396906
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
CID 114393889
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397236

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one (CID 72853241) is 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one is COc1c(F)c(F)c(Cn2ncc(N3CCOCC3)cc2=O)c(F)c1F.
What is the InChIKey of 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is BKOJAQLZHZSTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O3/c1-25-16-14(19)12(17)10(13(18)15(16)20)8-23-11(24)6-9(7-21-23)22-2-4-26-5-3-22/h6-7H,2-5,8H2,1H3.
What are the key properties of 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 373.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 72853241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).