[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone

C17H19N3O3 — CID 132649107

IUPAC[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C17H19N3O3/c21-13-17(11-14-5-2-1-3-6-14)12-20(9-10-23-17)16(22)15-7-4-8-18-19-15/h1-8,21H,9-13H2
InChIKeyKCXNGITZIXCYSP-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.92
Rot. Bonds4

About [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone

[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone (PubChem CID 132649107) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
PubChem CID132649107
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C17H19N3O3/c21-13-17(11-14-5-2-1-3-6-14)12-20(9-10-23-17)16(22)15-7-4-8-18-19-15/h1-8,21H,9-13H2
InChIKeyKCXNGITZIXCYSP-UHFFFAOYSA-N
XLogP0.92
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
CID 132764967
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
CID 132764631
(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
CID 155992732
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone (CID 132649107) is [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCOC(CO)(Cc2ccccc2)C1.
What is the InChIKey of [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone?
The InChIKey is KCXNGITZIXCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-13-17(11-14-5-2-1-3-6-14)12-20(9-10-23-17)16(22)15-7-4-8-18-19-15/h1-8,21H,9-13H2.
What are the key properties of [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone?
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone has a molecular weight of 313.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 132649107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).