2H-pyrazin-2-ide

C4H3N2- — CID 122209652

IUPAC2H-pyrazin-2-ide
SMILES[c-]1cnccn1
InChIInChI=1S/C4H3N2/c1-2-6-4-3-5-1/h1-3H/q-1
InChIKeyBNEICLHTMSIMSQ-UHFFFAOYSA-N
MW79.08 g/mol
LogP0.28
Rot. Bonds

About 2H-pyrazin-2-ide

2H-pyrazin-2-ide (PubChem CID 122209652) has the molecular formula C4H3N2- and a molecular weight of 79.08 g/mol. Its IUPAC name is 2H-pyrazin-2-ide.

Molecular Properties

Compound Name2H-pyrazin-2-ide
PubChem CID122209652
Molecular FormulaC4H3N2-
Molecular Weight79.08 g/mol
Exact Mass79.03
IUPAC Name2H-pyrazin-2-ide
SMILES[c-]1cnccn1
InChIInChI=1S/C4H3N2/c1-2-6-4-3-5-1/h1-3H/q-1
InChIKeyBNEICLHTMSIMSQ-UHFFFAOYSA-N
XLogP0.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.08
LogP ≤ 50.28
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?
The IUPAC name of 2H-pyrazin-2-ide (CID 122209652) is 2H-pyrazin-2-ide.
What is the SMILES notation for 2H-pyrazin-2-ide?
The canonical SMILES for 2H-pyrazin-2-ide is [c-]1cnccn1.
What is the InChIKey of 2H-pyrazin-2-ide?
The InChIKey is BNEICLHTMSIMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2/c1-2-6-4-3-5-1/h1-3H/q-1.
What are the key properties of 2H-pyrazin-2-ide?
2H-pyrazin-2-ide has a molecular weight of 79.08 g/mol, XLogP of 0.28, 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 is sourced from PubChem (CID 122209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).