2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol

C6H6Cl3N3O — CID 21429936

IUPAC2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol
SMILESOCCNc1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6H6Cl3N3O/c7-3-4(8)12-6(5(9)11-3)10-1-2-13/h13H,1-2H2,(H,10,12)
InChIKeyOUNKEIDXZMYEFC-UHFFFAOYSA-N
MW242.49 g/mol
LogP1.84
Rot. Bonds3

About 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol

2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol (PubChem CID 21429936) has the molecular formula C6H6Cl3N3O and a molecular weight of 242.49 g/mol. Its IUPAC name is 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol
PubChem CID21429936
Molecular FormulaC6H6Cl3N3O
Molecular Weight242.49 g/mol
Exact Mass240.96
IUPAC Name2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol
SMILESOCCNc1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6H6Cl3N3O/c7-3-4(8)12-6(5(9)11-3)10-1-2-13/h13H,1-2H2,(H,10,12)
InChIKeyOUNKEIDXZMYEFC-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5,6-trichloropyrazin-2-yl)amino]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-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol (CID 21429936) is 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol is OCCNc1nc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The InChIKey is OUNKEIDXZMYEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3O/c7-3-4(8)12-6(5(9)11-3)10-1-2-13/h13H,1-2H2,(H,10,12).
What are the key properties of 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol has a molecular weight of 242.49 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5,6-trichloropyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 21429936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).