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

C21H16F3N5O2Pt — CID 168793717

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

3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 168793717) has the molecular formula C21H16F3N5O2Pt and a molecular weight of 622.46 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]pyridine.

Molecular Properties

• Compound Name: 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 168793717
• Molecular Formula: C21H16F3N5O2Pt
• Molecular Weight: 622.46 g/mol
• Exact Mass: 622.09
• IUPAC Name: 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: COc1c[c-]c(-c2ccc(OC)nn2)cc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2]
• InChI: InChI=1S/C12H11N2O2.C9H5F3N3.Pt/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h3,5-8H,1-2H3;1-5H;/q2*-1;+2
• InChIKey: QSFJWRARCIXPRM-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 84.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.46
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]pyridine?

The IUPAC name of 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 168793717) is 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

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]pyridine?

The canonical SMILES for 3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1c[c-]c(-c2ccc(OC)nn2)cc1.FC(F)(F)c1cc(-c2ccccn2)[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]pyridine?

The InChIKey is QSFJWRARCIXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O2.C9H5F3N3.Pt/c1-15-10-5-3-9(4-6-10)11-7-8-12(16-2)14-13-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h3,5-8H,1-2H3;1-5H;/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]pyridine?

3-methoxy-6-(4-methoxybenzene-6-id-1-yl)pyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 622.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]pyridine is sourced from PubChem (CID 168793717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).