3-morpholin-4-ylpyrazine-2,5-dicarbonitrile

C10H9N5O — CID 57399772

IUPAC3-morpholin-4-ylpyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C10H9N5O/c11-5-8-7-13-9(6-12)10(14-8)15-1-3-16-4-2-15/h7H,1-4H2
InChIKeyAZYYZBBCJXSSOP-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.06
Rot. Bonds1

About 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile

3-morpholin-4-ylpyrazine-2,5-dicarbonitrile (PubChem CID 57399772) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-morpholin-4-ylpyrazine-2,5-dicarbonitrile
PubChem CID57399772
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name3-morpholin-4-ylpyrazine-2,5-dicarbonitrile
SMILESN#Cc1cnc(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C10H9N5O/c11-5-8-7-13-9(6-12)10(14-8)15-1-3-16-4-2-15/h7H,1-4H2
InChIKeyAZYYZBBCJXSSOP-UHFFFAOYSA-N
XLogP0.06
TPSA85.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile (CID 57399772) is 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile is N#Cc1cnc(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile?
The InChIKey is AZYYZBBCJXSSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-5-8-7-13-9(6-12)10(14-8)15-1-3-16-4-2-15/h7H,1-4H2.
What are the key properties of 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile?
3-morpholin-4-ylpyrazine-2,5-dicarbonitrile has a molecular weight of 215.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57399772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).