2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one

C16H16N4O5 — CID 7665412

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)N1CCOCC1
InChIInChI=1S/C16H16N4O5/c21-15-6-5-14(12-1-3-13(4-2-12)20(23)24)17-19(15)11-16(22)18-7-9-25-10-8-18/h1-6H,7-11H2
InChIKeyHBIXAKGMLZUEJQ-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one

2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one (PubChem CID 7665412) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
PubChem CID7665412
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)N1CCOCC1
InChIInChI=1S/C16H16N4O5/c21-15-6-5-14(12-1-3-13(4-2-12)20(23)24)17-19(15)11-16(22)18-7-9-25-10-8-18/h1-6H,7-11H2
InChIKeyHBIXAKGMLZUEJQ-UHFFFAOYSA-N
XLogP0.68
TPSA107.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7663844
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetonitrile
CID 7665444
[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42762350
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121050859
N-(4-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one (CID 7665412) is 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one is O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one?
The InChIKey is HBIXAKGMLZUEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c21-15-6-5-14(12-1-3-13(4-2-12)20(23)24)17-19(15)11-16(22)18-7-9-25-10-8-18/h1-6H,7-11H2.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one?
2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one has a molecular weight of 344.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 7665412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).