2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol

C19H24IN7O3 — CID 137127262

About 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol

2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol (PubChem CID 137127262) has the molecular formula C19H24IN7O3 and a molecular weight of 525.35 g/mol. Its IUPAC name is 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol.

Molecular Properties

• Compound Name: 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol
• PubChem CID: 137127262
• Molecular Formula: C19H24IN7O3
• Molecular Weight: 525.35 g/mol
• Exact Mass: 525.10
• IUPAC Name: 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol
• SMILES: Cc1cc(I)cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O
• InChI: InChI=1S/C19H24IN7O3/c1-13-10-15(20)11-14(16(13)28)12-21-25-17-22-18(26-2-6-29-7-3-26)24-19(23-17)27-4-8-30-9-5-27/h10-12,28H,2-9H2,1H3,(H,22,23,24,25)/b21-12-
• InChIKey: ANZJQLDQWPKFPQ-MTJSOVHGSA-N
• XLogP: 1.61
• TPSA: 108.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.35
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol?

The IUPAC name of 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol (CID 137127262) is 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol.

What is the SMILES notation for 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol?

The canonical SMILES for 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol is Cc1cc(I)cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O.

What is the InChIKey of 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol?

The InChIKey is ANZJQLDQWPKFPQ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H24IN7O3/c1-13-10-15(20)11-14(16(13)28)12-21-25-17-22-18(26-2-6-29-7-3-26)24-19(23-17)27-4-8-30-9-5-27/h10-12,28H,2-9H2,1H3,(H,22,23,24,25)/b21-12-.

What are the key properties of 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol?

2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol has a molecular weight of 525.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol is sourced from PubChem (CID 137127262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).