1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione

C18H21N3O6 — CID 90225111

IUPAC1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC#CCOCCn1c(=O)n(CCOCC#C)c(=O)n(CCOCC#C)c1=O
InChIInChI=1S/C18H21N3O6/c1-4-10-25-13-7-19-16(22)20(8-14-26-11-5-2)18(24)21(17(19)23)9-15-27-12-6-3/h1-3H,7-15H2
InChIKeyRPLHDSWOVUVTKA-UHFFFAOYSA-N
MW375.38 g/mol
LogP-1.88
Rot. Bonds12

About 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 90225111) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID90225111
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC#CCOCCn1c(=O)n(CCOCC#C)c(=O)n(CCOCC#C)c1=O
InChIInChI=1S/C18H21N3O6/c1-4-10-25-13-7-19-16(22)20(8-14-26-11-5-2)18(24)21(17(19)23)9-15-27-12-6-3/h1-3H,7-15H2
InChIKeyRPLHDSWOVUVTKA-UHFFFAOYSA-N
XLogP-1.88
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

16-[2-[6-[2-(15,17,18-Trioxo-4,11-dioxa-1,14,16-triazabicyclo[12.3.1]octadeca-6,8-diyn-16-yl)ethoxy]hexa-2,4-diynoxy]ethyl]-4,11-dioxa-1,14,16-triazabicyclo[12.3.1]octadeca-6,8-diyne-15,17,18-trione
CID 102580404
1,3,5-Tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 20643254
CID 59952122
CID 59952122
1-(2-Hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 90225107
1,3,5-Tris(2-ethoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 90779378
Methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
Methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 161020718
1,3,5-Tris(2-prop-1-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 175444509
1,3,5-Tris{2-[(prop-2-yn-1-yl)oxy]ethyl}-1,3,5-triazinane
CID 71420386
N-ethyl-N-prop-2-ynylmorpholine-4-carboxamide
CID 78969955
N-propyl-N-prop-2-ynylmorpholine-4-carboxamide
CID 78969956
N-methyl-N-prop-2-ynylmorpholine-4-carboxamide
CID 81802893

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 90225111) is 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione is C#CCOCCn1c(=O)n(CCOCC#C)c(=O)n(CCOCC#C)c1=O.
What is the InChIKey of 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RPLHDSWOVUVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-4-10-25-13-7-19-16(22)20(8-14-26-11-5-2)18(24)21(17(19)23)9-15-27-12-6-3/h1-3H,7-15H2.
What are the key properties of 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 375.38 g/mol, XLogP of -1.88, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 90225111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).