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

C6H9N3O4 — CID 163908759

IUPAC1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)n(CCO)c1=O
InChIInChI=1S/C6H9N3O4/c1-8-4(11)7-5(12)9(2-3-10)6(8)13/h10H,2-3H2,1H3,(H,7,11,12)
InChIKeyQQGDNJBSJAZAAW-UHFFFAOYSA-N
MW187.16 g/mol
LogP-2.77
Rot. Bonds2

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

1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 163908759) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID163908759
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)n(CCO)c1=O
InChIInChI=1S/C6H9N3O4/c1-8-4(11)7-5(12)9(2-3-10)6(8)13/h10H,2-3H2,1H3,(H,7,11,12)
InChIKeyQQGDNJBSJAZAAW-UHFFFAOYSA-N
XLogP-2.77
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione (CID 163908759) is 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)[nH]c(=O)n(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is QQGDNJBSJAZAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-8-4(11)7-5(12)9(2-3-10)6(8)13/h10H,2-3H2,1H3,(H,7,11,12).
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 187.16 g/mol, XLogP of -2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 163908759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).