4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

C11H15N5O3 — CID 108887257

IUPAC4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H15N5O3/c1-8(17)15-4-6-16(7-5-15)11(19)12-9-2-3-10(18)14-13-9/h2-3H,4-7H2,1H3,(H,14,18)(H,12,13,19)
InChIKeyZGFPUSSDXLGKKW-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.53
Rot. Bonds1

About 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide

4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887257) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887257
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H15N5O3/c1-8(17)15-4-6-16(7-5-15)11(19)12-9-2-3-10(18)14-13-9/h2-3H,4-7H2,1H3,(H,14,18)(H,12,13,19)
InChIKeyZGFPUSSDXLGKKW-UHFFFAOYSA-N
XLogP-0.53
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 5121298
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
2-methyl-6-piperazin-1-yl-2H-pyridazin-3-one
CID 46397568
1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine
CID 54217504
6-(Piperazin-1-yl)pyridazin-3-ol hydrochloride
CID 68509903
1-Methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea
CID 154662458
1-Methyl-3-(1-methyl-6-oxopyridazin-3-yl)-1-propylurea;molecular hydrogen
CID 154662480
1-Ethyl-3-(1-methyl-6-oxopyridazin-3-yl)urea
CID 155020887
N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 155021012
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 178116543
ethane;3-piperazin-1-yl-1H-pyridazin-6-one
CID 178116795

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887257) is 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is ZGFPUSSDXLGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-8(17)15-4-6-16(7-5-15)11(19)12-9-2-3-10(18)14-13-9/h2-3H,4-7H2,1H3,(H,14,18)(H,12,13,19).
What are the key properties of 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).