6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one

C15H22N4O3 — CID 42162031

IUPAC6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-3-4-7-19-14(21)6-5-13(16-19)15(22)18-10-8-17(9-11-18)12(2)20/h5-6H,3-4,7-11H2,1-2H3
InChIKeyYIHYZPMNVKFMGL-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.35
Rot. Bonds4

About 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one

6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one (PubChem CID 42162031) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one
PubChem CID42162031
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-3-4-7-19-14(21)6-5-13(16-19)15(22)18-10-8-17(9-11-18)12(2)20/h5-6H,3-4,7-11H2,1-2H3
InChIKeyYIHYZPMNVKFMGL-UHFFFAOYSA-N
XLogP0.35
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one (CID 42162031) is 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one is CCCCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one?
The InChIKey is YIHYZPMNVKFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-4-7-19-14(21)6-5-13(16-19)15(22)18-10-8-17(9-11-18)12(2)20/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one?
6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one has a molecular weight of 306.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-2-butylpyridazin-3-one is sourced from PubChem (CID 42162031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).