95538-03-7 Purity
97%
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Specification
The molecular formula of 5-methylpyrazine-2-carbonitrile is C6H5N3.
The molecular weight of 5-methylpyrazine-2-carbonitrile is 119.12 g/mol.
Some synonyms for 5-methylpyrazine-2-carbonitrile include 98006-91-8, 2-cyano-5-methylpyrazine, and PYRAZINECARBONITRILE, 5-METHYL.
The IUPAC Name of 5-methylpyrazine-2-carbonitrile is 5-methylpyrazine-2-carbonitrile.
The InChIKey of 5-methylpyrazine-2-carbonitrile is AYMRPLHDHGMXOF-UHFFFAOYSA-N.
The Canonical SMILES representation of 5-methylpyrazine-2-carbonitrile is CC1=CN=C(C=N1)C#N.
5-methylpyrazine-2-carbonitrile has 3 hydrogen bond acceptors.
The topological polar surface area of 5-methylpyrazine-2-carbonitrile is 49.6 Å2.
5-methylpyrazine-2-carbonitrile does not have any defined atom stereocenters.
Yes, the compound 5-methylpyrazine-2-carbonitrile is canonicalized.
Reference: [1]Journal of the Chemical Society. Perkin transactions I,1991,p. 2877 - 2882