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

C12H16N4O3 — CID 42161826

IUPAC6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C12H16N4O3/c1-9(17)15-5-7-16(8-6-15)12(19)10-3-4-11(18)14(2)13-10/h3-4H,5-8H2,1-2H3
InChIKeyZIKSIABSDJUJNX-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.92
Rot. Bonds1

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

6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 42161826) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID42161826
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C12H16N4O3/c1-9(17)15-5-7-16(8-6-15)12(19)10-3-4-11(18)14(2)13-10/h3-4H,5-8H2,1-2H3
InChIKeyZIKSIABSDJUJNX-UHFFFAOYSA-N
XLogP-0.92
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.92
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-methylpyridazin-3-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one (CID 42161826) is 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one is CC(=O)N1CCN(C(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is ZIKSIABSDJUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(17)15-5-7-16(8-6-15)12(19)10-3-4-11(18)14(2)13-10/h3-4H,5-8H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one?
6-(4-acetylpiperazine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 264.28 g/mol, XLogP of -0.92, 1 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-methylpyridazin-3-one is sourced from PubChem (CID 42161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).