(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile

C7H5N3O — CID 129384082

IUPAC(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile
SMILESN#C[C@H](C=O)c1cnccn1
InChIInChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-6H/t6-/m1/s1
InChIKeyFJSGHQFVFIEEEM-ZCFIWIBFSA-N
MW147.14 g/mol
LogP0.28
Rot. Bonds2

About (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile

(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile (PubChem CID 129384082) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile
PubChem CID129384082
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile
SMILESN#C[C@H](C=O)c1cnccn1
InChIInChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-6H/t6-/m1/s1
InChIKeyFJSGHQFVFIEEEM-ZCFIWIBFSA-N
XLogP0.28
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile?
The IUPAC name of (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile (CID 129384082) is (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile.
What is the SMILES notation for (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile?
The canonical SMILES for (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile is N#C[C@H](C=O)c1cnccn1.
What is the InChIKey of (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile?
The InChIKey is FJSGHQFVFIEEEM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H5N3O/c8-3-6(5-11)7-4-9-1-2-10-7/h1-2,4-6H/t6-/m1/s1.
What are the key properties of (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile?
(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile has a molecular weight of 147.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-oxo-2-pyrazin-2-ylpropanenitrile is sourced from PubChem (CID 129384082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).