3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C10H16N4O2 — CID 82509666

IUPAC3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=NNC(=O)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(9(15)13-12-7)10(16)14-4-2-11-3-5-14/h8,11H,2-6H2,1H3,(H,13,15)
InChIKeyARHOLGZRCOAXSK-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.07
Rot. Bonds1

About 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 82509666) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID82509666
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=NNC(=O)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(9(15)13-12-7)10(16)14-4-2-11-3-5-14/h8,11H,2-6H2,1H3,(H,13,15)
InChIKeyARHOLGZRCOAXSK-UHFFFAOYSA-N
XLogP-1.07
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 82509666) is 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC1=NNC(=O)C(C(=O)N2CCNCC2)C1.
What is the InChIKey of 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ARHOLGZRCOAXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-8(9(15)13-12-7)10(16)14-4-2-11-3-5-14/h8,11H,2-6H2,1H3,(H,13,15).
What are the key properties of 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 224.26 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 82509666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).