2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol

C23H26N8O2 — CID 153389201

About 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 153389201) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 153389201
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: Cc1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)nc(N(CCO)CCO)n2)cc1
• InChI: InChI=1S/C23H26N8O2/c1-16-6-8-18(9-7-16)26-21-27-22(29-23(28-21)31(10-12-32)11-13-33)30-25-15-17-14-24-20-5-3-2-4-19(17)20/h2-9,14-15,24,32-33H,10-13H2,1H3,(H2,26,27,28,29,30)/b25-15+
• InChIKey: DCKLSDQIRDILKH-MFKUBSTISA-N
• XLogP: 2.64
• TPSA: 134.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_thiophene_A(11)', '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-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 153389201) is 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol is Cc1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)nc(N(CCO)CCO)n2)cc1.

What is the InChIKey of 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is DCKLSDQIRDILKH-MFKUBSTISA-N. The full InChI is InChI=1S/C23H26N8O2/c1-16-6-8-18(9-7-16)26-21-27-22(29-23(28-21)31(10-12-32)11-13-33)30-25-15-17-14-24-20-5-3-2-4-19(17)20/h2-9,14-15,24,32-33H,10-13H2,1H3,(H2,26,27,28,29,30)/b25-15+.

What are the key properties of 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol?

2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 446.52 g/mol, XLogP of 2.64, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 153389201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).