N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)

C18H11N11Pt — CID 59661047

About N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)

N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+) (PubChem CID 59661047) has the molecular formula C18H11N11Pt and a molecular weight of 576.44 g/mol. Its IUPAC name is N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+).

Molecular Properties

• Compound Name: N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)
• PubChem CID: 59661047
• Molecular Formula: C18H11N11Pt
• Molecular Weight: 576.44 g/mol
• Exact Mass: 576.08
• IUPAC Name: N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1cnncc1-n1cnc(N(c2ccccc2)c2ncn(-c3[c-]cnnc3)n2)n1
• InChI: InChI=1S/C18H11N11.Pt/c1-2-4-14(5-3-1)29(17-19-12-27(25-17)15-6-8-21-23-10-15)18-20-13-28(26-18)16-7-9-22-24-11-16;/h1-5,8-13H;/q-2;+2
• InChIKey: NBDICXAGTJXCPO-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 116.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.44
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)?

The IUPAC name of N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+) (CID 59661047) is N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+).

What is the SMILES notation for N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)?

The canonical SMILES for N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+) is [Pt+2].[c-]1cnncc1-n1cnc(N(c2ccccc2)c2ncn(-c3[c-]cnnc3)n2)n1.

What is the InChIKey of N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)?

The InChIKey is NBDICXAGTJXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N11.Pt/c1-2-4-14(5-3-1)29(17-19-12-27(25-17)15-6-8-21-23-10-15)18-20-13-28(26-18)16-7-9-22-24-11-16;/h1-5,8-13H;/q-2;+2.

What are the key properties of N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)?

N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+) has a molecular weight of 576.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+) is sourced from PubChem (CID 59661047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).