2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one

C12H18N4O2 — CID 29085430

IUPAC2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one
SMILESCCC(=O)Cn1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-2-11(17)9-16-12(18)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyNZXQFVNTEHLEFT-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.37
Rot. Bonds4

About 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one

2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one (PubChem CID 29085430) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one
PubChem CID29085430
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one
SMILESCCC(=O)Cn1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-2-11(17)9-16-12(18)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyNZXQFVNTEHLEFT-UHFFFAOYSA-N
XLogP-0.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 110876547
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one (CID 29085430) is 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one is CCC(=O)Cn1ncc(N2CCNCC2)cc1=O.
What is the InChIKey of 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is NZXQFVNTEHLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-11(17)9-16-12(18)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3.
What are the key properties of 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one?
2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 250.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobutyl)-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 29085430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).