3-(ethylamino)pyrazine-2,5-dicarbonitrile

C8H7N5 — CID 57398215

IUPAC3-(ethylamino)pyrazine-2,5-dicarbonitrile
SMILESCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C8H7N5/c1-2-11-8-7(4-10)12-5-6(3-9)13-8/h5H,2H2,1H3,(H,11,13)
InChIKeyBRLSDZJSMRBVRB-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.65
Rot. Bonds2

About 3-(ethylamino)pyrazine-2,5-dicarbonitrile

3-(ethylamino)pyrazine-2,5-dicarbonitrile (PubChem CID 57398215) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-(ethylamino)pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(ethylamino)pyrazine-2,5-dicarbonitrile
PubChem CID57398215
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name3-(ethylamino)pyrazine-2,5-dicarbonitrile
SMILESCCNc1nc(C#N)cnc1C#N
InChIInChI=1S/C8H7N5/c1-2-11-8-7(4-10)12-5-6(3-9)13-8/h5H,2H2,1H3,(H,11,13)
InChIKeyBRLSDZJSMRBVRB-UHFFFAOYSA-N
XLogP0.65
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3-(ethylamino)pyrazine-2,5-dicarbonitrile (CID 57398215) is 3-(ethylamino)pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3-(ethylamino)pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3-(ethylamino)pyrazine-2,5-dicarbonitrile is CCNc1nc(C#N)cnc1C#N.
What is the InChIKey of 3-(ethylamino)pyrazine-2,5-dicarbonitrile?
The InChIKey is BRLSDZJSMRBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-2-11-8-7(4-10)12-5-6(3-9)13-8/h5H,2H2,1H3,(H,11,13).
What are the key properties of 3-(ethylamino)pyrazine-2,5-dicarbonitrile?
3-(ethylamino)pyrazine-2,5-dicarbonitrile has a molecular weight of 173.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 57398215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).