1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

C17H30N6O7 — CID 59141671

IUPAC1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCN1CN(C)CN(COCCn2c(=O)n(CCO)c(=O)n(CCOC)c2=O)C1=O
InChIInChI=1S/C17H30N6O7/c1-4-19-11-18(2)12-20(14(19)25)13-30-10-7-23-16(27)21(5-8-24)15(26)22(17(23)28)6-9-29-3/h24H,4-13H2,1-3H3
InChIKeyDRCBFUDSBPDGKZ-UHFFFAOYSA-N
MW430.46 g/mol
LogP-2.61
Rot. Bonds11

About 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione

1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 59141671) has the molecular formula C17H30N6O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID59141671
Molecular FormulaC17H30N6O7
Molecular Weight430.46 g/mol
Exact Mass430.22
IUPAC Name1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCN1CN(C)CN(COCCn2c(=O)n(CCO)c(=O)n(CCOC)c2=O)C1=O
InChIInChI=1S/C17H30N6O7/c1-4-19-11-18(2)12-20(14(19)25)13-30-10-7-23-16(27)21(5-8-24)15(26)22(17(23)28)6-9-29-3/h24H,4-13H2,1-3H3
InChIKeyDRCBFUDSBPDGKZ-UHFFFAOYSA-N
XLogP-2.61
TPSA131.48 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 5-2.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 59141671) is 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is CCN1CN(C)CN(COCCn2c(=O)n(CCO)c(=O)n(CCOC)c2=O)C1=O.
What is the InChIKey of 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DRCBFUDSBPDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O7/c1-4-19-11-18(2)12-20(14(19)25)13-30-10-7-23-16(27)21(5-8-24)15(26)22(17(23)28)6-9-29-3/h24H,4-13H2,1-3H3.
What are the key properties of 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 430.46 g/mol, XLogP of -2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethyl-5-methyl-2-oxo-1,3,5-triazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59141671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).