3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C12H16N4O3 — CID 110741309

IUPAC3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1=O
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyPDDSNUVHIHZRID-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.54
Rot. Bonds2

About 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110741309) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110741309
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1=O
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyPDDSNUVHIHZRID-UHFFFAOYSA-N
XLogP-0.54
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
1(6H)-Pyridazineacetic acid, alpha-ethyl-3-methyl-6-oxo-, hydrazide
CID 115372
3-(2-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 4369642
3-[4-(3-methylbutyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 45827987
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
2-Butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
CID 31095761
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-hydroxypyridazine-3-carboxamide
CID 132228177
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
3-[3,4-dimethyl-5-(trifluoromethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108459180
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide;hydrochloride
CID 120810888
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridazine-3-carboxamide
CID 120810889

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 110741309) is 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one is CC(C)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1=O.
What is the InChIKey of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is PDDSNUVHIHZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h3-4,8H,5-7H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 264.28 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110741309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).