3-(1-ethoxyethenyl)pyrazine-2-carbonitrile

C9H9N3O — CID 142789285

IUPAC3-(1-ethoxyethenyl)pyrazine-2-carbonitrile
SMILESC=C(OCC)c1nccnc1C#N
InChIInChI=1S/C9H9N3O/c1-3-13-7(2)9-8(6-10)11-4-5-12-9/h4-5H,2-3H2,1H3
InChIKeyAWFPFJWWTLFGNJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.36
Rot. Bonds3

About 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile

3-(1-ethoxyethenyl)pyrazine-2-carbonitrile (PubChem CID 142789285) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)pyrazine-2-carbonitrile
PubChem CID142789285
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-(1-ethoxyethenyl)pyrazine-2-carbonitrile
SMILESC=C(OCC)c1nccnc1C#N
InChIInChI=1S/C9H9N3O/c1-3-13-7(2)9-8(6-10)11-4-5-12-9/h4-5H,2-3H2,1H3
InChIKeyAWFPFJWWTLFGNJ-UHFFFAOYSA-N
XLogP1.36
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1-Ethoxyethenyl)-6-(trifluoromethyl)pyrazine
CID 164920686
2-(1-Ethoxyethenyl)-5-(trifluoromethyl)pyrazine
CID 166150427
5H-pyrano[3,4-b]pyrazine
CID 67942049
2-(1-Methoxyvinyl)-3-methylpyrazine
CID 68364146
3-Chloro-6-(1-ethoxyethenyl)pyrazine-2-carbonitrile
CID 86647974
CID 88581019
CID 88581019
2-(1-Ethoxyethenyl)pyrazine
CID 89535117
2-(2H-pyran-6-yl)pyrazine
CID 91255487
2-(3,4-dihydro-2H-pyran-6-yl)pyrazine
CID 91585440
2-(1-Methoxyethenyl)-3-(2-methylpent-1-enyl)pyrazine
CID 123349023
(Z)-3-methoxy-3-pyrazin-2-ylprop-2-enenitrile
CID 129203662
3-(Methoxymethyl)pyrazine-2-carbonitrile
CID 142789280

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile (CID 142789285) is 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile is C=C(OCC)c1nccnc1C#N.
What is the InChIKey of 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile?
The InChIKey is AWFPFJWWTLFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-3-13-7(2)9-8(6-10)11-4-5-12-9/h4-5H,2-3H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile?
3-(1-ethoxyethenyl)pyrazine-2-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 142789285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).