pyrazin-2-ylmethanediol

C5H6N2O2 — CID 57059322

IUPACpyrazin-2-ylmethanediol
SMILESOC(O)c1cnccn1
InChIInChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H
InChIKeyGZMYGHVWJARSKL-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.54
Rot. Bonds1

About pyrazin-2-ylmethanediol

pyrazin-2-ylmethanediol (PubChem CID 57059322) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is pyrazin-2-ylmethanediol.

Molecular Properties

Compound Namepyrazin-2-ylmethanediol
PubChem CID57059322
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Namepyrazin-2-ylmethanediol
SMILESOC(O)c1cnccn1
InChIInChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H
InChIKeyGZMYGHVWJARSKL-UHFFFAOYSA-N
XLogP-0.54
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethanediol?
The IUPAC name of pyrazin-2-ylmethanediol (CID 57059322) is pyrazin-2-ylmethanediol.
What is the SMILES notation for pyrazin-2-ylmethanediol?
The canonical SMILES for pyrazin-2-ylmethanediol is OC(O)c1cnccn1.
What is the InChIKey of pyrazin-2-ylmethanediol?
The InChIKey is GZMYGHVWJARSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3,5,8-9H.
What are the key properties of pyrazin-2-ylmethanediol?
pyrazin-2-ylmethanediol has a molecular weight of 126.11 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethanediol is sourced from PubChem (CID 57059322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).