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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Related Compounds

3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
8-(ethylamino)-2-methylsulfinylpyrido[3,4-d]pyrimidine-6-carbonitrile
CID 168932292
2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
CID 22390612
5-cyano-6-(heptylamino)pyrazine-2-carboxamide
CID 52918028
5-(ethylamino)-1-methylimidazole-4-carbonitrile
CID 10606909
5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide
CID 10242543
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
CID 102345603
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
5-propylpyrazine-2-carbonitrile
CID 20725734
ethane;2-(ethylamino)pyrimidine-5-carbonitrile
CID 142425715

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).