2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one

C15H18N6O2 — CID 121066958

IUPAC2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O
InChIInChI=1S/C15H18N6O2/c1-2-21-13(22)5-4-12(18-21)14(23)19-8-10-20(11-9-19)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3
InChIKeyMHWFTDISLXCEJG-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.02
Rot. Bonds3

About 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one

2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 121066958) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID121066958
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O
InChIInChI=1S/C15H18N6O2/c1-2-21-13(22)5-4-12(18-21)14(23)19-8-10-20(11-9-19)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3
InChIKeyMHWFTDISLXCEJG-UHFFFAOYSA-N
XLogP0.02
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
CID 121066902
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194515

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one (CID 121066958) is 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one is CCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O.
What is the InChIKey of 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is MHWFTDISLXCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-2-21-13(22)5-4-12(18-21)14(23)19-8-10-20(11-9-19)15-16-6-3-7-17-15/h3-7H,2,8-11H2,1H3.
What are the key properties of 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one?
2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 314.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 121066958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).