pyrazin-2-olate

C4H3N2O- — CID 1201422

IUPACpyrazin-2-olate
SMILES[O-]c1cnccn1
InChIInChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)/p-1
InChIKeyHUTNOYOBQPAKIA-UHFFFAOYSA-M
MW95.08 g/mol
LogP-0.45
Rot. Bonds

About pyrazin-2-olate

pyrazin-2-olate (PubChem CID 1201422) has the molecular formula C4H3N2O- and a molecular weight of 95.08 g/mol. Its IUPAC name is pyrazin-2-olate.

Molecular Properties

Compound Namepyrazin-2-olate
PubChem CID1201422
Molecular FormulaC4H3N2O-
Molecular Weight95.08 g/mol
Exact Mass95.03
IUPAC Namepyrazin-2-olate
SMILES[O-]c1cnccn1
InChIInChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)/p-1
InChIKeyHUTNOYOBQPAKIA-UHFFFAOYSA-M
XLogP-0.45
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.08
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-olate?
The IUPAC name of pyrazin-2-olate (CID 1201422) is pyrazin-2-olate.
What is the SMILES notation for pyrazin-2-olate?
The canonical SMILES for pyrazin-2-olate is [O-]c1cnccn1.
What is the InChIKey of pyrazin-2-olate?
The InChIKey is HUTNOYOBQPAKIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)/p-1.
What are the key properties of pyrazin-2-olate?
pyrazin-2-olate has a molecular weight of 95.08 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-olate is sourced from PubChem (CID 1201422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).