1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

C14H25N3O9 — CID 59245425

About 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione

1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 59245425) has the molecular formula C14H25N3O9 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 59245425
• Molecular Formula: C14H25N3O9
• Molecular Weight: 379.37 g/mol
• Exact Mass: 379.16
• IUPAC Name: 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
• SMILES: O=c1n(CCOCCO)c(=O)n(CC(O)CO)c(=O)n1CCOCCO
• InChI: InChI=1S/C14H25N3O9/c18-3-7-25-5-1-15-12(22)16(2-6-26-8-4-19)14(24)17(13(15)23)9-11(21)10-20/h11,18-21H,1-10H2
• InChIKey: RFZSFGSWIHWNOW-UHFFFAOYSA-N
• XLogP: -4.46
• TPSA: 165.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.37
LogP ≤ 5	-4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 59245425) is 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(CCOCCO)c(=O)n(CC(O)CO)c(=O)n1CCOCCO.

What is the InChIKey of 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?

The InChIKey is RFZSFGSWIHWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O9/c18-3-7-25-5-1-15-12(22)16(2-6-26-8-4-19)14(24)17(13(15)23)9-11(21)10-20/h11,18-21H,1-10H2.

What are the key properties of 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?

1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 379.37 g/mol, XLogP of -4.46, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydroxypropyl)-3,5-bis[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59245425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).