2-ethynylpyrazine

C6H4N2 — CID 15639205

IUPAC2-ethynylpyrazine
SMILESC#Cc1cnccn1
InChIInChI=1S/C6H4N2/c1-2-6-5-7-3-4-8-6/h1,3-5H
InChIKeyGLEJGPDNIJWWQH-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.46
Rot. Bonds

About 2-ethynylpyrazine

2-ethynylpyrazine (PubChem CID 15639205) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-ethynylpyrazine.

Molecular Properties

Compound Name2-ethynylpyrazine
PubChem CID15639205
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Name2-ethynylpyrazine
SMILESC#Cc1cnccn1
InChIInChI=1S/C6H4N2/c1-2-6-5-7-3-4-8-6/h1,3-5H
InChIKeyGLEJGPDNIJWWQH-UHFFFAOYSA-N
XLogP0.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethynylpyrazine?
The IUPAC name of 2-ethynylpyrazine (CID 15639205) is 2-ethynylpyrazine.
What is the SMILES notation for 2-ethynylpyrazine?
The canonical SMILES for 2-ethynylpyrazine is C#Cc1cnccn1.
What is the InChIKey of 2-ethynylpyrazine?
The InChIKey is GLEJGPDNIJWWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2/c1-2-6-5-7-3-4-8-6/h1,3-5H.
What are the key properties of 2-ethynylpyrazine?
2-ethynylpyrazine has a molecular weight of 104.11 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylpyrazine is sourced from PubChem (CID 15639205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).