2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide

C23H28N10O3 — CID 20994518

About 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide

2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide (PubChem CID 20994518) has the molecular formula C23H28N10O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide.

Molecular Properties

• Compound Name: 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
• PubChem CID: 20994518
• Molecular Formula: C23H28N10O3
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.23
• IUPAC Name: 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
• SMILES: O=C(CNc1ccccc1)NNc1nc(NNC(=O)CNc2ccccc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C23H28N10O3/c34-19(15-24-17-7-3-1-4-8-17)29-31-21-26-22(28-23(27-21)33-11-13-36-14-12-33)32-30-20(35)16-25-18-9-5-2-6-10-18/h1-10,24-25H,11-16H2,(H,29,34)(H,30,35)(H2,26,27,28,31,32)
• InChIKey: ZNRDHHWIBWMQEF-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 157.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide?

The IUPAC name of 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide (CID 20994518) is 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide.

What is the SMILES notation for 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide?

The canonical SMILES for 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide is O=C(CNc1ccccc1)NNc1nc(NNC(=O)CNc2ccccc2)nc(N2CCOCC2)n1.

What is the InChIKey of 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide?

The InChIKey is ZNRDHHWIBWMQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N10O3/c34-19(15-24-17-7-3-1-4-8-17)29-31-21-26-22(28-23(27-21)33-11-13-36-14-12-33)32-30-20(35)16-25-18-9-5-2-6-10-18/h1-10,24-25H,11-16H2,(H,29,34)(H,30,35)(H2,26,27,28,31,32).

What are the key properties of 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide?

2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide has a molecular weight of 492.54 g/mol, XLogP of 0.82, 11 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide is sourced from PubChem (CID 20994518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).