3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid

C13H20N4O4 — CID 43522036

IUPAC3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCN1N=C(C(=O)N2CCN(CCC(=O)O)CC2)CCC1=O
InChIInChI=1S/C13H20N4O4/c1-15-11(18)3-2-10(14-15)13(21)17-8-6-16(7-9-17)5-4-12(19)20/h2-9H2,1H3,(H,19,20)
InChIKeyIRMIEBAWHSOFEC-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.79
Rot. Bonds4

About 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522036) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522036
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCN1N=C(C(=O)N2CCN(CCC(=O)O)CC2)CCC1=O
InChIInChI=1S/C13H20N4O4/c1-15-11(18)3-2-10(14-15)13(21)17-8-6-16(7-9-17)5-4-12(19)20/h2-9H2,1H3,(H,19,20)
InChIKeyIRMIEBAWHSOFEC-UHFFFAOYSA-N
XLogP-0.79
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 43522036) is 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid is CN1N=C(C(=O)N2CCN(CCC(=O)O)CC2)CCC1=O.
What is the InChIKey of 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is IRMIEBAWHSOFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-15-11(18)3-2-10(14-15)13(21)17-8-6-16(7-9-17)5-4-12(19)20/h2-9H2,1H3,(H,19,20).
What are the key properties of 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 296.33 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).