1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

C24H22N8O4 — CID 135419750

About 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135419750) has the molecular formula C24H22N8O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
• PubChem CID: 135419750
• Molecular Formula: C24H22N8O4
• Molecular Weight: 486.49 g/mol
• Exact Mass: 486.18
• IUPAC Name: 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
• SMILES: O=[N+]([O-])c1cccc(Nc2nc(N/N=C\c3c(O)ccc4ccccc34)nc(N3CCOCC3)n2)c1
• InChI: InChI=1S/C24H22N8O4/c33-21-9-8-16-4-1-2-7-19(16)20(21)15-25-30-23-27-22(26-17-5-3-6-18(14-17)32(34)35)28-24(29-23)31-10-12-36-13-11-31/h1-9,14-15,33H,10-13H2,(H2,26,27,28,29,30)/b25-15-
• InChIKey: FOCJJJJLWRQCRH-MYYYXRDXSA-N
• XLogP: 3.66
• TPSA: 150.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.49
LogP ≤ 5	3.66
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The IUPAC name of 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 135419750) is 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

What is the SMILES notation for 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The canonical SMILES for 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is O=[N+]([O-])c1cccc(Nc2nc(N/N=C\c3c(O)ccc4ccccc34)nc(N3CCOCC3)n2)c1.

What is the InChIKey of 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

The InChIKey is FOCJJJJLWRQCRH-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H22N8O4/c33-21-9-8-16-4-1-2-7-19(16)20(21)15-25-30-23-27-22(26-17-5-3-6-18(14-17)32(34)35)28-24(29-23)31-10-12-36-13-11-31/h1-9,14-15,33H,10-13H2,(H2,26,27,28,29,30)/b25-15-.

What are the key properties of 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?

1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 486.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135419750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).