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

C5H7N3O4 — CID 18520329

IUPAC1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CCO)c(=O)[nH]1
InChIInChI=1S/C5H7N3O4/c9-2-1-8-4(11)6-3(10)7-5(8)12/h9H,1-2H2,(H2,6,7,10,11,12)
InChIKeyANMAWDWFQHQPFX-UHFFFAOYSA-N
MW173.13 g/mol
LogP-2.78
Rot. Bonds2

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

1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 18520329) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID18520329
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CCO)c(=O)[nH]1
InChIInChI=1S/C5H7N3O4/c9-2-1-8-4(11)6-3(10)7-5(8)12/h9H,1-2H2,(H2,6,7,10,11,12)
InChIKeyANMAWDWFQHQPFX-UHFFFAOYSA-N
XLogP-2.78
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-2.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 18520329) is 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CCO)c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ANMAWDWFQHQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c9-2-1-8-4(11)6-3(10)7-5(8)12/h9H,1-2H2,(H2,6,7,10,11,12).
What are the key properties of 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 173.13 g/mol, XLogP of -2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 18520329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).