2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one

C16H18N4O3 — CID 121101087

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-12(16(22)19-8-10-23-11-9-19)20-15(21)3-2-14(18-20)13-4-6-17-7-5-13/h2-7,12H,8-11H2,1H3
InChIKeyVCRMQFVDYGIWBP-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.73
Rot. Bonds3

About 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one

2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one (PubChem CID 121101087) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one
PubChem CID121101087
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-12(16(22)19-8-10-23-11-9-19)20-15(21)3-2-14(18-20)13-4-6-17-7-5-13/h2-7,12H,8-11H2,1H3
InChIKeyVCRMQFVDYGIWBP-UHFFFAOYSA-N
XLogP0.73
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
CID 121101090
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101082
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-oxopyridazine-3-carboxylic acid
CID 114696033
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101287
2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one
CID 122279517
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101290
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one (CID 121101087) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one is CC(C(=O)N1CCOCC1)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is VCRMQFVDYGIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12(16(22)19-8-10-23-11-9-19)20-15(21)3-2-14(18-20)13-4-6-17-7-5-13/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 314.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 121101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).