3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C12H18N4O3 — CID 110741310

IUPAC3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1=O
InChIInChI=1S/C12H18N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyPWUDFLCINDNNRL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.67
Rot. Bonds2

About 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110741310) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110741310
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1=O
InChIInChI=1S/C12H18N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyPWUDFLCINDNNRL-UHFFFAOYSA-N
XLogP-0.67
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 110741310) is 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC(C)N1CCN(C(=O)C2=NNC(=O)CC2)CC1=O.
What is the InChIKey of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PWUDFLCINDNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)16-6-5-15(7-11(16)18)12(19)9-3-4-10(17)14-13-9/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 266.30 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110741310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).