2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C16H25N5O2 — CID 7292461

IUPAC2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C16H25N5O2/c1-13(2)16(22)21-7-5-19(6-8-21)14-3-4-15(18-17-14)20-9-11-23-12-10-20/h3-4,13H,5-12H2,1-2H3
InChIKeyXXSJWCQUBSBFOL-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.62
Rot. Bonds3

About 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 7292461) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID7292461
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C16H25N5O2/c1-13(2)16(22)21-7-5-19(6-8-21)14-3-4-15(18-17-14)20-9-11-23-12-10-20/h3-4,13H,5-12H2,1-2H3
InChIKeyXXSJWCQUBSBFOL-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(6-Morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 5309291
N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
4-(6-(Piperazin-1-yl)pyridazin-3-yl)morpholine
CID 33702605
1-(6-Chloropyridazin-3-yl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 118740529
1-(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292459
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
Azepan-1-yl-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 46297875
N,N-dimethyl-4-(6-morpholinopyridazin-3-yl)piperazine-1-sulfonamide
CID 49671355
2-Methoxy-1-(4-(6-(2-methylpiperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 49671365
N~4~-{3-[Cyclohexyl(methyl)amino]propyl}-1-(6-morpholino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771884
Ethyl 1-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 50771915
N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 7292461) is 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XXSJWCQUBSBFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(2)16(22)21-7-5-19(6-8-21)14-3-4-15(18-17-14)20-9-11-23-12-10-20/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 319.41 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 7292461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).