(2S)-2-cyano-2-pyrazin-2-ylacetamide

C7H6N4O — CID 94065516

IUPAC(2S)-2-cyano-2-pyrazin-2-ylacetamide
SMILESN#C[C@@H](C(N)=O)c1cnccn1
InChIInChI=1S/C7H6N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-2,4-5H,(H2,9,12)/t5-/m1/s1
InChIKeyJYTFKUVZWPLSQA-RXMQYKEDSA-N
MW162.15 g/mol
LogP-0.43
Rot. Bonds2

About (2S)-2-cyano-2-pyrazin-2-ylacetamide

(2S)-2-cyano-2-pyrazin-2-ylacetamide (PubChem CID 94065516) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is (2S)-2-cyano-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name(2S)-2-cyano-2-pyrazin-2-ylacetamide
PubChem CID94065516
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name(2S)-2-cyano-2-pyrazin-2-ylacetamide
SMILESN#C[C@@H](C(N)=O)c1cnccn1
InChIInChI=1S/C7H6N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-2,4-5H,(H2,9,12)/t5-/m1/s1
InChIKeyJYTFKUVZWPLSQA-RXMQYKEDSA-N
XLogP-0.43
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-2-pyrazin-2-ylacetamide?
The IUPAC name of (2S)-2-cyano-2-pyrazin-2-ylacetamide (CID 94065516) is (2S)-2-cyano-2-pyrazin-2-ylacetamide.
What is the SMILES notation for (2S)-2-cyano-2-pyrazin-2-ylacetamide?
The canonical SMILES for (2S)-2-cyano-2-pyrazin-2-ylacetamide is N#C[C@@H](C(N)=O)c1cnccn1.
What is the InChIKey of (2S)-2-cyano-2-pyrazin-2-ylacetamide?
The InChIKey is JYTFKUVZWPLSQA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H6N4O/c8-3-5(7(9)12)6-4-10-1-2-11-6/h1-2,4-5H,(H2,9,12)/t5-/m1/s1.
What are the key properties of (2S)-2-cyano-2-pyrazin-2-ylacetamide?
(2S)-2-cyano-2-pyrazin-2-ylacetamide has a molecular weight of 162.15 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 94065516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).