2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol

C8H12N2O2 — CID 141402817

IUPAC2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol
SMILESOCCc1nccnc1CCO
InChIInChI=1S/C8H12N2O2/c11-5-1-7-8(2-6-12)10-4-3-9-7/h3-4,11-12H,1-2,5-6H2
InChIKeyNUBHMFYYMAJNCD-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.45
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol

2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol (PubChem CID 141402817) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol
PubChem CID141402817
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol
SMILESOCCc1nccnc1CCO
InChIInChI=1S/C8H12N2O2/c11-5-1-7-8(2-6-12)10-4-3-9-7/h3-4,11-12H,1-2,5-6H2
InChIKeyNUBHMFYYMAJNCD-UHFFFAOYSA-N
XLogP-0.45
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-hydroxyethyl)pyrazin-2-yl]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-(2-hydroxyethyl)pyrazin-2-yl]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol (CID 141402817) is 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol is OCCc1nccnc1CCO.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol?
The InChIKey is NUBHMFYYMAJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-5-1-7-8(2-6-12)10-4-3-9-7/h3-4,11-12H,1-2,5-6H2.
What are the key properties of 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol?
2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol has a molecular weight of 168.20 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 141402817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).