methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate

C13H20N4O4 — CID 78985372

IUPACmethyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H20N4O4/c1-21-12(19)4-5-16-6-8-17(9-7-16)13(20)10-2-3-11(18)15-14-10/h2-9H2,1H3,(H,15,18)
InChIKeyLVVZTEITUKNLAN-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.04
Rot. Bonds4

About methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate

methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate (PubChem CID 78985372) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
PubChem CID78985372
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Namemethyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H20N4O4/c1-21-12(19)4-5-16-6-8-17(9-7-16)13(20)10-2-3-11(18)15-14-10/h2-9H2,1H3,(H,15,18)
InChIKeyLVVZTEITUKNLAN-UHFFFAOYSA-N
XLogP-1.04
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate (CID 78985372) is methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate?
The InChIKey is LVVZTEITUKNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-21-12(19)4-5-16-6-8-17(9-7-16)13(20)10-2-3-11(18)15-14-10/h2-9H2,1H3,(H,15,18).
What are the key properties of methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate?
methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate has a molecular weight of 296.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78985372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).