3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine

C₂₀H₁₅F₃N₆O₂Pt — CID 168793721

About 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine

3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine (PubChem CID 168793721) has the molecular formula C₂₀H₁₅F₃N₆O₂Pt and a molecular weight of 623.45 g/mol. Its IUPAC name is 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine.

Molecular Properties

• Compound Name: 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine
• PubChem CID: 168793721
• Molecular Formula: C₂₀H₁₅F₃N₆O₂Pt
• Molecular Weight: 623.45 g/mol
• Exact Mass: 623.09
• IUPAC Name: 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine
• SMILES: COc1c[c-]c(-c2ccc(OC)nn2)cc1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2]
• InChI: InChI=1S/C12H11N2O2.C8H4F3N4.Pt/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;/h3,5-8H,1-2H3;1-4H;/q2*-1;+2
• InChIKey: JYQFXCRRJWMRQC-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 97.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.45
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The IUPAC name of 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine (CID 168793721) is 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine.

What is the SMILES notation for 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The canonical SMILES for 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine is COc1c[c-]c(-c2ccc(OC)nn2)cc1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].

What is the InChIKey of 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

The InChIKey is JYQFXCRRJWMRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O2.C8H4F3N4.Pt/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11;9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;/h3,5-8H,1-2H3;1-4H;/q2*-1;+2.

What are the key properties of 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine?

3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine has a molecular weight of 623.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine is sourced from PubChem (CID 168793721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168793721 — identifiers, structure, computed properties (public domain)

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