5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile

C14H11N5 — CID 13336955

IUPAC5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19)
InChIKeyWQRUYWHPVVDBKN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.32
Rot. Bonds3

About 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile

5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile (PubChem CID 13336955) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
PubChem CID13336955
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19)
InChIKeyWQRUYWHPVVDBKN-UHFFFAOYSA-N
XLogP2.32
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile (CID 13336955) is 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile is CCNc1nc(C#N)c(C#N)nc1-c1ccccc1.
What is the InChIKey of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
The InChIKey is WQRUYWHPVVDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-17-14-13(10-6-4-3-5-7-10)18-11(8-15)12(9-16)19-14/h3-7H,2H2,1H3,(H,17,19).
What are the key properties of 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile?
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13336955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).