6-ethynylimidazo[1,2-a]pyrazine

• ChemBase ID: 89716
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: n1cc2nccn2cc1C#C
• Canonical SMILES: C#Cc1cn2ccnc2cn1
• InChI: InChI=1S/C8H5N3/c1-2-7-6-11-4-3-9-8(11)5-10-7/h1,3-6H
• InChIKey: ALNLKKWQOAJCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethynylimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-ethynylimidazo[1,2-a]pyrazine
• Synonyms: (Imidazo[1,2-a]pyrazine-6-yl)acetylene; 6-Ethynylimdazo[1.2a]pyrazine

Database IDs

• MDL Number: MFCD21647858
• PubChem SID: 162076579
• PubChem CID: 71299553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.42572907
• LogD (pH = 7.4): 0.06383394
• Log P: 0.07856262
• Molar Refractivity: 38.5798 cm^3
• Polarizability: 14.976275 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon