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

C13H16N6O2 — CID 60712555

IUPAC3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)=NN1
InChIInChI=1S/C13H16N6O2/c20-12-2-1-10(16-17-12)13(21)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,1-2,5-8H2,(H,17,20)
InChIKeyXPTQTRJZWBBGSP-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.61
Rot. Bonds2

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

3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 60712555) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID60712555
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)=NN1
InChIInChI=1S/C13H16N6O2/c20-12-2-1-10(16-17-12)13(21)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,1-2,5-8H2,(H,17,20)
InChIKeyXPTQTRJZWBBGSP-UHFFFAOYSA-N
XLogP-0.61
TPSA90.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 107244924
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 60712555) is 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCN(c3cnccn3)CC2)=NN1.
What is the InChIKey of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XPTQTRJZWBBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-12-2-1-10(16-17-12)13(21)19-7-5-18(6-8-19)11-9-14-3-4-15-11/h3-4,9H,1-2,5-8H2,(H,17,20).
What are the key properties of 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 288.31 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 60712555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).