2-methylidene-1H-pyrazine

C5H5N2+ — CID 136746165

IUPAC2-methylidene-1H-pyrazine
SMILES[H]/[C+]=C1\C=NC=CN1
InChIInChI=1S/C5H5N2/c1-5-4-6-2-3-7-5/h1-4,7H/q+1
InChIKeyVDAHKCRJNUTFFH-UHFFFAOYSA-N
MW93.11 g/mol
LogP0.45
Rot. Bonds

About 2-methylidene-1H-pyrazine

2-methylidene-1H-pyrazine (PubChem CID 136746165) has the molecular formula C5H5N2+ and a molecular weight of 93.11 g/mol. Its IUPAC name is 2-methylidene-1H-pyrazine.

Molecular Properties

Compound Name2-methylidene-1H-pyrazine
PubChem CID136746165
Molecular FormulaC5H5N2+
Molecular Weight93.11 g/mol
Exact Mass93.04
IUPAC Name2-methylidene-1H-pyrazine
SMILES[H]/[C+]=C1\C=NC=CN1
InChIInChI=1S/C5H5N2/c1-5-4-6-2-3-7-5/h1-4,7H/q+1
InChIKeyVDAHKCRJNUTFFH-UHFFFAOYSA-N
XLogP0.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.11
LogP ≤ 50.45
H-Bond Donors ≤ 51
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 2-methylidene-1H-pyrazine?
The IUPAC name of 2-methylidene-1H-pyrazine (CID 136746165) is 2-methylidene-1H-pyrazine.
What is the SMILES notation for 2-methylidene-1H-pyrazine?
The canonical SMILES for 2-methylidene-1H-pyrazine is [H]/[C+]=C1\C=NC=CN1.
What is the InChIKey of 2-methylidene-1H-pyrazine?
The InChIKey is VDAHKCRJNUTFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2/c1-5-4-6-2-3-7-5/h1-4,7H/q+1.
What are the key properties of 2-methylidene-1H-pyrazine?
2-methylidene-1H-pyrazine has a molecular weight of 93.11 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1H-pyrazine is sourced from PubChem (CID 136746165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).