5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)

C25H22N5O6Rf3-3 — CID 58059772

About 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)

5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium) (PubChem CID 58059772) has the molecular formula C25H22N5O6Rf3-3 and a molecular weight of 1289.48 g/mol. Its IUPAC name is 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium).

Molecular Properties

• Compound Name: 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)
• PubChem CID: 58059772
• Molecular Formula: C25H22N5O6Rf3-3
• Molecular Weight: 1289.48 g/mol
• Exact Mass: 1289.52
• IUPAC Name: 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)
• SMILES: [CH2-]Oc1ccc(Cc2nc(Nc3ccc(O[CH2-])c(O)c3)nc(Nc3ccc(O[CH2-])c(O)c3)n2)cc1O.[Rf].[Rf].[Rf]
• InChI: InChI=1S/C25H22N5O6.3Rf/c1-34-20-7-4-14(10-17(20)31)11-23-28-24(26-15-5-8-21(35-2)18(32)12-15)30-25(29-23)27-16-6-9-22(36-3)19(33)13-16;;;/h4-10,12-13,31-33H,1-3,11H2,(H2,26,27,28,29,30);;;/q-3
• InChIKey: WUUXYUNKPHXXIY-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 151.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1289.48
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	5
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 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)?

The IUPAC name of 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium) (CID 58059772) is 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium).

What is the SMILES notation for 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)?

The canonical SMILES for 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium) is [CH2-]Oc1ccc(Cc2nc(Nc3ccc(O[CH2-])c(O)c3)nc(Nc3ccc(O[CH2-])c(O)c3)n2)cc1O.[Rf].[Rf].[Rf].

What is the InChIKey of 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)?

The InChIKey is WUUXYUNKPHXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N5O6.3Rf/c1-34-20-7-4-14(10-17(20)31)11-23-28-24(26-15-5-8-21(35-2)18(32)12-15)30-25(29-23)27-16-6-9-22(36-3)19(33)13-16;;;/h4-10,12-13,31-33H,1-3,11H2,(H2,26,27,28,29,30);;;/q-3;;;.

What are the key properties of 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium)?

5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium) has a molecular weight of 1289.48 g/mol, XLogP of 4.58, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4,6-bis(3-hydroxy-4-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-2-methanidyloxyphenol;tris(rutherfordium) is sourced from PubChem (CID 58059772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).