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

C15H12FN5 — CID 13337000

IUPAC5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
SMILESCCCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1
InChIInChI=1S/C15H12FN5/c1-2-6-19-15-14(10-4-3-5-11(16)7-10)20-12(8-17)13(9-18)21-15/h3-5,7H,2,6H2,1H3,(H,19,21)
InChIKeyUUOPZHHEMGZBNT-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.85
Rot. Bonds4

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

5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile (PubChem CID 13337000) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
PubChem CID13337000
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
SMILESCCCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1
InChIInChI=1S/C15H12FN5/c1-2-6-19-15-14(10-4-3-5-11(16)7-10)20-12(8-17)13(9-18)21-15/h3-5,7H,2,6H2,1H3,(H,19,21)
InChIKeyUUOPZHHEMGZBNT-UHFFFAOYSA-N
XLogP2.85
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile (CID 13337000) is 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile is CCCNc1nc(C#N)c(C#N)nc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile?
The InChIKey is UUOPZHHEMGZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c1-2-6-19-15-14(10-4-3-5-11(16)7-10)20-12(8-17)13(9-18)21-15/h3-5,7H,2,6H2,1H3,(H,19,21).
What are the key properties of 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile?
5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile has a molecular weight of 281.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13337000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).