2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol

C8H12ClN3O — CID 53408836

IUPAC2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-2-12(3-4-13)8-6-10-5-7(9)11-8/h5-6,13H,2-4H2,1H3
InChIKeyYSDTTZHUMHFQKG-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.95
Rot. Bonds4

About 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol

2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol (PubChem CID 53408836) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
PubChem CID53408836
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-2-12(3-4-13)8-6-10-5-7(9)11-8/h5-6,13H,2-4H2,1H3
InChIKeyYSDTTZHUMHFQKG-UHFFFAOYSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloropyrazin-2-yl)-ethylamino]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-[(6-chloropyrazin-2-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol (CID 53408836) is 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol is CCN(CCO)c1cncc(Cl)n1.
What is the InChIKey of 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol?
The InChIKey is YSDTTZHUMHFQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-12(3-4-13)8-6-10-5-7(9)11-8/h5-6,13H,2-4H2,1H3.
What are the key properties of 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol?
2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol has a molecular weight of 201.66 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol is sourced from PubChem (CID 53408836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).