2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol

C8H12ClN3O2 — CID 62505407

IUPAC2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O2/c9-7-5-10-6-8(12-7)11-1-3-14-4-2-13/h5-6,13H,1-4H2,(H,11,12)
InChIKeyALCJSOGEJCFHOI-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.55
Rot. Bonds6

About 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol

2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol (PubChem CID 62505407) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
PubChem CID62505407
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O2/c9-7-5-10-6-8(12-7)11-1-3-14-4-2-13/h5-6,13H,1-4H2,(H,11,12)
InChIKeyALCJSOGEJCFHOI-UHFFFAOYSA-N
XLogP0.55
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol (CID 62505407) is 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol is OCCOCCNc1cncc(Cl)n1.
What is the InChIKey of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol?
The InChIKey is ALCJSOGEJCFHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-7-5-10-6-8(12-7)11-1-3-14-4-2-13/h5-6,13H,1-4H2,(H,11,12).
What are the key properties of 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol?
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol has a molecular weight of 217.66 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 62505407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).