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

C15H19N3O6 — CID 90225107

IUPAC1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC#CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC#C)c1=O
InChIInChI=1S/C15H19N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h1-2,19H,5-12H2
InChIKeyBTJHXKXXRXBIEJ-UHFFFAOYSA-N
MW337.33 g/mol
LogP-2.54
Rot. Bonds10

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

1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 90225107) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID90225107
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC#CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC#C)c1=O
InChIInChI=1S/C15H19N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h1-2,19H,5-12H2
InChIKeyBTJHXKXXRXBIEJ-UHFFFAOYSA-N
XLogP-2.54
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
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

1,3,5-Tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 90225111
CID 57669297
CID 57669297
1-(2-Ethoxyethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59503049
1,3-Bis[2-(2-hydroxyethoxy)ethyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 66813010
1,3,5-Tris[2-(2-hydroxyethoxy)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 67067045
1,3-Bis(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196347
1-(2-Hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196349
6-Hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione
CID 91492823
1-(2-Hydroxyethyl)-3,5-bis(2-propan-2-yloxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 117672493
1,3-Bis(2-methoxyethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione;ethane;methanol
CID 142881549
2-[3,5-Bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyloxidanium
CID 163462674
1,3,5-Tris(2-prop-1-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 175444509

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 90225107) is 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione is C#CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC#C)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BTJHXKXXRXBIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h1-2,19H,5-12H2.
What are the key properties of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 337.33 g/mol, XLogP of -2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 90225107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).