2-(2-pyrazin-2-ylethynyl)pyrazine

C10H6N4 — CID 90277956

IUPAC2-(2-pyrazin-2-ylethynyl)pyrazine
SMILESC(#Cc1cnccn1)c1cnccn1
InChIInChI=1S/C10H6N4/c1(9-7-11-3-5-13-9)2-10-8-12-4-6-14-10/h3-8H
InChIKeyKKSKFSMYWOXHKV-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.67
Rot. Bonds

About 2-(2-pyrazin-2-ylethynyl)pyrazine

2-(2-pyrazin-2-ylethynyl)pyrazine (PubChem CID 90277956) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(2-pyrazin-2-ylethynyl)pyrazine.

Molecular Properties

Compound Name2-(2-pyrazin-2-ylethynyl)pyrazine
PubChem CID90277956
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name2-(2-pyrazin-2-ylethynyl)pyrazine
SMILESC(#Cc1cnccn1)c1cnccn1
InChIInChI=1S/C10H6N4/c1(9-7-11-3-5-13-9)2-10-8-12-4-6-14-10/h3-8H
InChIKeyKKSKFSMYWOXHKV-UHFFFAOYSA-N
XLogP0.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-pyrazin-2-ylethynyl)pyrazine?
The IUPAC name of 2-(2-pyrazin-2-ylethynyl)pyrazine (CID 90277956) is 2-(2-pyrazin-2-ylethynyl)pyrazine.
What is the SMILES notation for 2-(2-pyrazin-2-ylethynyl)pyrazine?
The canonical SMILES for 2-(2-pyrazin-2-ylethynyl)pyrazine is C(#Cc1cnccn1)c1cnccn1.
What is the InChIKey of 2-(2-pyrazin-2-ylethynyl)pyrazine?
The InChIKey is KKSKFSMYWOXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1(9-7-11-3-5-13-9)2-10-8-12-4-6-14-10/h3-8H.
What are the key properties of 2-(2-pyrazin-2-ylethynyl)pyrazine?
2-(2-pyrazin-2-ylethynyl)pyrazine has a molecular weight of 182.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazin-2-ylethynyl)pyrazine is sourced from PubChem (CID 90277956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).