3,5-diethynylpyrazin-2-amine

• ChemBase ID: 294599
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: Nc1ncc(C#C)nc1C#C
• Canonical SMILES: C#Cc1cnc(c(n1)C#C)N
• InChI: InChI=1S/C8H5N3/c1-3-6-5-10-8(9)7(4-2)11-6/h1-2,5H,(H2,9,10)
• InChIKey: BVDSFBQAWMBNKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diethynylpyrazin-2-amine
• IUPAC Traditional name: 3,5-diethynylpyrazin-2-amine
• Synonyms: 3,5-Diethynylpyrazin-2-amine

Database IDs

• PubChem SID: 180680130
• PubChem CID: 72183426

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37679827
• LogD (pH = 7.4): 0.3768037
• Log P: 0.3768038
• Molar Refractivity: 36.3587 cm^3
• Polarizability: 14.839021 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%