ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate

C10H8N4O2 — CID 11850913

IUPACethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(C#N)nc1C
InChIInChI=1S/C10H8N4O2/c1-3-16-10(15)9-6(2)13-7(4-11)8(5-12)14-9/h3H2,1-2H3
InChIKeyAQOAMNLIERBJES-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.71
Rot. Bonds2

About ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate

ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate (PubChem CID 11850913) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate
PubChem CID11850913
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Nameethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(C#N)nc1C
InChIInChI=1S/C10H8N4O2/c1-3-16-10(15)9-6(2)13-7(4-11)8(5-12)14-9/h3H2,1-2H3
InChIKeyAQOAMNLIERBJES-UHFFFAOYSA-N
XLogP0.71
TPSA99.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate (CID 11850913) is ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate is CCOC(=O)c1nc(C#N)c(C#N)nc1C.
What is the InChIKey of ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate?
The InChIKey is AQOAMNLIERBJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-3-16-10(15)9-6(2)13-7(4-11)8(5-12)14-9/h3H2,1-2H3.
What are the key properties of ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate?
ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate has a molecular weight of 216.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dicyano-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 11850913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).