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

C7H11N3O5 — CID 57123327

IUPAC1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C7H11N3O5/c11-3-1-9-5(13)8-6(14)10(2-4-12)7(9)15/h11-12H,1-4H2,(H,8,13,14)
InChIKeyPNMXCUGTRRGOHD-UHFFFAOYSA-N
MW217.18 g/mol
LogP-3.32
Rot. Bonds4

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

1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 57123327) has the molecular formula C7H11N3O5 and a molecular weight of 217.18 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID57123327
Molecular FormulaC7H11N3O5
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C7H11N3O5/c11-3-1-9-5(13)8-6(14)10(2-4-12)7(9)15/h11-12H,1-4H2,(H,8,13,14)
InChIKeyPNMXCUGTRRGOHD-UHFFFAOYSA-N
XLogP-3.32
TPSA117.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-3.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 57123327) is 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CCO)c(=O)n1CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is PNMXCUGTRRGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5/c11-3-1-9-5(13)8-6(14)10(2-4-12)7(9)15/h11-12H,1-4H2,(H,8,13,14).
What are the key properties of 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 217.18 g/mol, XLogP of -3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 57123327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).