2H-pyrazin-2-ide;yttrium

C4H3N2Y- — CID 59908146

IUPAC2H-pyrazin-2-ide;yttrium
SMILES[Y].[c-]1cnccn1
InChIInChI=1S/C4H3N2.Y/c1-2-6-4-3-5-1;/h1-3H;/q-1;
InChIKeyXOZXQWCQKFBONL-UHFFFAOYSA-N
MW167.99 g/mol
LogP0.27
Rot. Bonds

About 2H-pyrazin-2-ide;yttrium

2H-pyrazin-2-ide;yttrium (PubChem CID 59908146) has the molecular formula C4H3N2Y- and a molecular weight of 167.99 g/mol. Its IUPAC name is 2H-pyrazin-2-ide;yttrium.

Molecular Properties

Compound Name2H-pyrazin-2-ide;yttrium
PubChem CID59908146
Molecular FormulaC4H3N2Y-
Molecular Weight167.99 g/mol
Exact Mass167.94
IUPAC Name2H-pyrazin-2-ide;yttrium
SMILES[Y].[c-]1cnccn1
InChIInChI=1S/C4H3N2.Y/c1-2-6-4-3-5-1;/h1-3H;/q-1;
InChIKeyXOZXQWCQKFBONL-UHFFFAOYSA-N
XLogP0.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.99
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrazin-2-ide;yttrium?
The IUPAC name of 2H-pyrazin-2-ide;yttrium (CID 59908146) is 2H-pyrazin-2-ide;yttrium.
What is the SMILES notation for 2H-pyrazin-2-ide;yttrium?
The canonical SMILES for 2H-pyrazin-2-ide;yttrium is [Y].[c-]1cnccn1.
What is the InChIKey of 2H-pyrazin-2-ide;yttrium?
The InChIKey is XOZXQWCQKFBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2.Y/c1-2-6-4-3-5-1;/h1-3H;/q-1;.
What are the key properties of 2H-pyrazin-2-ide;yttrium?
2H-pyrazin-2-ide;yttrium has a molecular weight of 167.99 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazin-2-ide;yttrium is sourced from PubChem (CID 59908146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).