2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C₁₈H₂₀N₈O₂ — CID 122338578

About 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 122338578) has the molecular formula C₁₈H₂₀N₈O₂ and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
• PubChem CID: 122338578
• Molecular Formula: C₁₈H₂₀N₈O₂
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.17
• IUPAC Name: 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
• SMILES: Cc1nc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc(-n2ccnc2)n1
• InChI: InChI=1S/C18H20N8O2/c1-14-21-15(11-16(22-14)25-6-5-19-13-25)23-7-9-24(10-8-23)18(28)12-26-17(27)3-2-4-20-26/h2-6,11,13H,7-10,12H2,1H3
• InChIKey: INRUHXVNEBLYQD-UHFFFAOYSA-N
• XLogP: -0.12
• TPSA: 102.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	-0.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The IUPAC name of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 122338578) is 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

What is the SMILES notation for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The canonical SMILES for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1nc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc(-n2ccnc2)n1.

What is the InChIKey of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The InChIKey is INRUHXVNEBLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-14-21-15(11-16(22-14)25-6-5-19-13-25)23-7-9-24(10-8-23)18(28)12-26-17(27)3-2-4-20-26/h2-6,11,13H,7-10,12H2,1H3.

What are the key properties of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 380.41 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122338578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122338578 — identifiers, structure, computed properties (public domain)

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