ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate

C10H8N4O2 — CID 134996714

IUPACethyl 2-(5,6-dicyanopyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1cnc(C#N)c(C#N)n1
InChIInChI=1S/C10H8N4O2/c1-2-16-10(15)3-7-6-13-8(4-11)9(5-12)14-7/h6H,2-3H2,1H3
InChIKeyGGNNPXHHUQRZIZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.33
Rot. Bonds3

About ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate

ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate (PubChem CID 134996714) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6-dicyanopyrazin-2-yl)acetate
PubChem CID134996714
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Nameethyl 2-(5,6-dicyanopyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1cnc(C#N)c(C#N)n1
InChIInChI=1S/C10H8N4O2/c1-2-16-10(15)3-7-6-13-8(4-11)9(5-12)14-7/h6H,2-3H2,1H3
InChIKeyGGNNPXHHUQRZIZ-UHFFFAOYSA-N
XLogP0.33
TPSA99.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate?
The IUPAC name of ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate (CID 134996714) is ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate is CCOC(=O)Cc1cnc(C#N)c(C#N)n1.
What is the InChIKey of ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate?
The InChIKey is GGNNPXHHUQRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-2-16-10(15)3-7-6-13-8(4-11)9(5-12)14-7/h6H,2-3H2,1H3.
What are the key properties of ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate?
ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate has a molecular weight of 216.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dicyanopyrazin-2-yl)acetate is sourced from PubChem (CID 134996714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).