2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol

C26H23Cl2N9O2 — CID 137059894

About 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol

2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol (PubChem CID 137059894) has the molecular formula C26H23Cl2N9O2 and a molecular weight of 564.44 g/mol. Its IUPAC name is 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol.

Molecular Properties

• Compound Name: 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol
• PubChem CID: 137059894
• Molecular Formula: C26H23Cl2N9O2
• Molecular Weight: 564.44 g/mol
• Exact Mass: 563.14
• IUPAC Name: 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol
• SMILES: Oc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C26H23Cl2N9O2/c27-18-6-8-22(21(28)15-18)35-34-20-7-9-23(38)17(14-20)16-29-36-25-31-24(30-19-4-2-1-3-5-19)32-26(33-25)37-10-12-39-13-11-37/h1-9,14-16,38H,10-13H2,(H2,30,31,32,33,36)/b29-16-,35-34+
• InChIKey: ZGYAKZDPJVNPMI-QUOPWRQUSA-N
• XLogP: 6.33
• TPSA: 132.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	564.44
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol?

The IUPAC name of 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol (CID 137059894) is 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol.

What is the SMILES notation for 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol?

The canonical SMILES for 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol is Oc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1/C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.

What is the InChIKey of 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol?

The InChIKey is ZGYAKZDPJVNPMI-QUOPWRQUSA-N. The full InChI is InChI=1S/C26H23Cl2N9O2/c27-18-6-8-22(21(28)15-18)35-34-20-7-9-23(38)17(14-20)16-29-36-25-31-24(30-19-4-2-1-3-5-19)32-26(33-25)37-10-12-39-13-11-37/h1-9,14-16,38H,10-13H2,(H2,30,31,32,33,36)/b29-16-,35-34+.

What are the key properties of 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol?

2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol has a molecular weight of 564.44 g/mol, XLogP of 6.33, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(2,4-dichlorophenyl)diazenyl]phenol is sourced from PubChem (CID 137059894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).