1-pyrazin-2-ylethane-1,2-diol

C6H8N2O2 — CID 14362260

IUPAC1-pyrazin-2-ylethane-1,2-diol
SMILESOCC(O)c1cnccn1
InChIInChI=1S/C6H8N2O2/c9-4-6(10)5-3-7-1-2-8-5/h1-3,6,9-10H,4H2
InChIKeyDSYZOEMHANKOOZ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.50
Rot. Bonds2

About 1-pyrazin-2-ylethane-1,2-diol

1-pyrazin-2-ylethane-1,2-diol (PubChem CID 14362260) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-pyrazin-2-ylethane-1,2-diol.

Molecular Properties

Compound Name1-pyrazin-2-ylethane-1,2-diol
PubChem CID14362260
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-pyrazin-2-ylethane-1,2-diol
SMILESOCC(O)c1cnccn1
InChIInChI=1S/C6H8N2O2/c9-4-6(10)5-3-7-1-2-8-5/h1-3,6,9-10H,4H2
InChIKeyDSYZOEMHANKOOZ-UHFFFAOYSA-N
XLogP-0.50
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylethane-1,2-diol?
The IUPAC name of 1-pyrazin-2-ylethane-1,2-diol (CID 14362260) is 1-pyrazin-2-ylethane-1,2-diol.
What is the SMILES notation for 1-pyrazin-2-ylethane-1,2-diol?
The canonical SMILES for 1-pyrazin-2-ylethane-1,2-diol is OCC(O)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylethane-1,2-diol?
The InChIKey is DSYZOEMHANKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-4-6(10)5-3-7-1-2-8-5/h1-3,6,9-10H,4H2.
What are the key properties of 1-pyrazin-2-ylethane-1,2-diol?
1-pyrazin-2-ylethane-1,2-diol has a molecular weight of 140.14 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylethane-1,2-diol is sourced from PubChem (CID 14362260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).