6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one

C14H20N4O3 — CID 42161847

IUPAC6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(=O)n(C(C)C)n2)CC1
InChIInChI=1S/C14H20N4O3/c1-10(2)18-13(20)5-4-12(15-18)14(21)17-8-6-16(7-9-17)11(3)19/h4-5,10H,6-9H2,1-3H3
InChIKeyMJHKVOSEOKVZSQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.13
Rot. Bonds2

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

6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one (PubChem CID 42161847) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
PubChem CID42161847
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)c2ccc(=O)n(C(C)C)n2)CC1
InChIInChI=1S/C14H20N4O3/c1-10(2)18-13(20)5-4-12(15-18)14(21)17-8-6-16(7-9-17)11(3)19/h4-5,10H,6-9H2,1-3H3
InChIKeyMJHKVOSEOKVZSQ-UHFFFAOYSA-N
XLogP0.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one (CID 42161847) is 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one is CC(=O)N1CCN(C(=O)c2ccc(=O)n(C(C)C)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is MJHKVOSEOKVZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10(2)18-13(20)5-4-12(15-18)14(21)17-8-6-16(7-9-17)11(3)19/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one?
6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 0.13, 2 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-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 42161847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).