2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol

C7H10ClN3O4 — CID 87430184

IUPAC2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESOCCOc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C7H10ClN3O4/c8-5-9-6(14-3-1-12)11-7(10-5)15-4-2-13/h12-13H,1-4H2
InChIKeyQCOIJFZMVWFZSS-UHFFFAOYSA-N
MW235.63 g/mol
LogP-0.73
Rot. Bonds6

About 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol

2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 87430184) has the molecular formula C7H10ClN3O4 and a molecular weight of 235.63 g/mol. Its IUPAC name is 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID87430184
Molecular FormulaC7H10ClN3O4
Molecular Weight235.63 g/mol
Exact Mass235.04
IUPAC Name2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
SMILESOCCOc1nc(Cl)nc(OCCO)n1
InChIInChI=1S/C7H10ClN3O4/c8-5-9-6(14-3-1-12)11-7(10-5)15-4-2-13/h12-13H,1-4H2
InChIKeyQCOIJFZMVWFZSS-UHFFFAOYSA-N
XLogP-0.73
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol 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 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol (CID 87430184) is 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol is OCCOc1nc(Cl)nc(OCCO)n1.
What is the InChIKey of 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
The InChIKey is QCOIJFZMVWFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O4/c8-5-9-6(14-3-1-12)11-7(10-5)15-4-2-13/h12-13H,1-4H2.
What are the key properties of 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol?
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 235.63 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol is sourced from PubChem (CID 87430184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).