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

C14H25N3O9 — CID 59245456

IUPAC1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCOCCOCCn1c(=O)n(CC(O)CO)c(=O)n(CC(O)CO)c1=O
InChIInChI=1S/C14H25N3O9/c1-25-4-5-26-3-2-15-12(22)16(6-10(20)8-18)14(24)17(13(15)23)7-11(21)9-19/h10-11,18-21H,2-9H2,1H3
InChIKeyZYMRTOJIDZSKQK-UHFFFAOYSA-N
MW379.37 g/mol
LogP-4.46
Rot. Bonds12

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

1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 59245456) has the molecular formula C14H25N3O9 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID59245456
Molecular FormulaC14H25N3O9
Molecular Weight379.37 g/mol
Exact Mass379.16
IUPAC Name1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCOCCOCCn1c(=O)n(CC(O)CO)c(=O)n(CC(O)CO)c1=O
InChIInChI=1S/C14H25N3O9/c1-25-4-5-26-3-2-15-12(22)16(6-10(20)8-18)14(24)17(13(15)23)7-11(21)9-19/h10-11,18-21H,2-9H2,1H3
InChIKeyZYMRTOJIDZSKQK-UHFFFAOYSA-N
XLogP-4.46
TPSA165.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.37
LogP ≤ 5-4.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 59245456) is 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is COCCOCCn1c(=O)n(CC(O)CO)c(=O)n(CC(O)CO)c1=O.
What is the InChIKey of 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZYMRTOJIDZSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O9/c1-25-4-5-26-3-2-15-12(22)16(6-10(20)8-18)14(24)17(13(15)23)7-11(21)9-19/h10-11,18-21H,2-9H2,1H3.
What are the key properties of 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 379.37 g/mol, XLogP of -4.46, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-dihydroxypropyl)-5-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59245456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).