2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

C13H18N4O3 — CID 121079734

IUPAC2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2ncccc2=O)CC1
InChIInChI=1S/C13H18N4O3/c1-10(17-12(19)4-3-5-14-17)13(20)16-8-6-15(7-9-16)11(2)18/h3-5,10H,6-9H2,1-2H3
InChIKeyNCHYRQKTOHKDPA-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.50
Rot. Bonds2

About 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 121079734) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID121079734
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2ncccc2=O)CC1
InChIInChI=1S/C13H18N4O3/c1-10(17-12(19)4-3-5-14-17)13(20)16-8-6-15(7-9-16)11(2)18/h3-5,10H,6-9H2,1-2H3
InChIKeyNCHYRQKTOHKDPA-UHFFFAOYSA-N
XLogP-0.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 121079734) is 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is CC(=O)N1CCN(C(=O)C(C)n2ncccc2=O)CC1.
What is the InChIKey of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is NCHYRQKTOHKDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-10(17-12(19)4-3-5-14-17)13(20)16-8-6-15(7-9-16)11(2)18/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 121079734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).