4,5-dimorpholin-4-yl-1H-pyridazin-6-one

C₂₄H₃₆N₈O₆ — CID 161394911

About 4,5-dimorpholin-4-yl-1H-pyridazin-6-one

4,5-dimorpholin-4-yl-1H-pyridazin-6-one (PubChem CID 161394911) has the molecular formula C₂₄H₃₆N₈O₆ and a molecular weight of 532.60 g/mol. Its IUPAC name is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 4,5-dimorpholin-4-yl-1H-pyridazin-6-one
• PubChem CID: 161394911
• Molecular Formula: C₂₄H₃₆N₈O₆
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.28
• IUPAC Name: 4,5-dimorpholin-4-yl-1H-pyridazin-6-one
• SMILES: O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1
• InChI: InChI=1S/2C12H18N4O3/c2*17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h2*9H,1-8H2,(H,14,17)
• InChIKey: VTLYGMNEIJKHBY-UHFFFAOYSA-N
• XLogP: -1.11
• TPSA: 141.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	-1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?

The IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one (CID 161394911) is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one.

What is the SMILES notation for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?

The canonical SMILES for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.

What is the InChIKey of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?

The InChIKey is VTLYGMNEIJKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N4O3/c2*17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h2*9H,1-8H2,(H,14,17).

What are the key properties of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?

4,5-dimorpholin-4-yl-1H-pyridazin-6-one has a molecular weight of 532.60 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 161394911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161394911 — identifiers, structure, computed properties (public domain)

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