5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile

C14H10FN5 — CID 13336999

IUPAC5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1
InChIInChI=1S/C14H10FN5/c1-2-18-14-13(9-4-3-5-10(15)6-9)19-11(7-16)12(8-17)20-14/h3-6H,2H2,1H3,(H,18,20)
InChIKeyPGIBWFNQVVPUTN-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.46
Rot. Bonds3

About 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile

5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile (PubChem CID 13336999) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile
PubChem CID13336999
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile
SMILESCCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1
InChIInChI=1S/C14H10FN5/c1-2-18-14-13(9-4-3-5-10(15)6-9)19-11(7-16)12(8-17)20-14/h3-6H,2H2,1H3,(H,18,20)
InChIKeyPGIBWFNQVVPUTN-UHFFFAOYSA-N
XLogP2.46
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile (CID 13336999) is 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile is CCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1.
What is the InChIKey of 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is PGIBWFNQVVPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c1-2-18-14-13(9-4-3-5-10(15)6-9)19-11(7-16)12(8-17)20-14/h3-6H,2H2,1H3,(H,18,20).
What are the key properties of 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile?
5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 267.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-6-(3-fluorophenyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13336999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).