2-amino-2-(5-chloropyrazin-2-yl)ethanol

C6H8ClN3O — CID 83827335

IUPAC2-amino-2-(5-chloropyrazin-2-yl)ethanol
SMILESNC(CO)c1cnc(Cl)cn1
InChIInChI=1S/C6H8ClN3O/c7-6-2-9-5(1-10-6)4(8)3-11/h1-2,4,11H,3,8H2
InChIKeyAIYXKPLVPQSKRW-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.12
Rot. Bonds2

About 2-amino-2-(5-chloropyrazin-2-yl)ethanol

2-amino-2-(5-chloropyrazin-2-yl)ethanol (PubChem CID 83827335) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-amino-2-(5-chloropyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-chloropyrazin-2-yl)ethanol
PubChem CID83827335
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-amino-2-(5-chloropyrazin-2-yl)ethanol
SMILESNC(CO)c1cnc(Cl)cn1
InChIInChI=1S/C6H8ClN3O/c7-6-2-9-5(1-10-6)4(8)3-11/h1-2,4,11H,3,8H2
InChIKeyAIYXKPLVPQSKRW-UHFFFAOYSA-N
XLogP0.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloropyrazin-2-yl)ethanol?
The IUPAC name of 2-amino-2-(5-chloropyrazin-2-yl)ethanol (CID 83827335) is 2-amino-2-(5-chloropyrazin-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-chloropyrazin-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-chloropyrazin-2-yl)ethanol is NC(CO)c1cnc(Cl)cn1.
What is the InChIKey of 2-amino-2-(5-chloropyrazin-2-yl)ethanol?
The InChIKey is AIYXKPLVPQSKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-6-2-9-5(1-10-6)4(8)3-11/h1-2,4,11H,3,8H2.
What are the key properties of 2-amino-2-(5-chloropyrazin-2-yl)ethanol?
2-amino-2-(5-chloropyrazin-2-yl)ethanol has a molecular weight of 173.60 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloropyrazin-2-yl)ethanol is sourced from PubChem (CID 83827335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).