3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile

C16H13FN6 — CID 133284896

IUPAC3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3nccnc3C#N)CC2)c(F)c1
InChIInChI=1S/C16H13FN6/c17-13-9-12(10-18)1-2-15(13)22-5-7-23(8-6-22)16-14(11-19)20-3-4-21-16/h1-4,9H,5-8H2
InChIKeyMFFGVPUVEUDLFC-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.69
Rot. Bonds2

About 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133284896) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133284896
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3nccnc3C#N)CC2)c(F)c1
InChIInChI=1S/C16H13FN6/c17-13-9-12(10-18)1-2-15(13)22-5-7-23(8-6-22)16-14(11-19)20-3-4-21-16/h1-4,9H,5-8H2
InChIKeyMFFGVPUVEUDLFC-UHFFFAOYSA-N
XLogP1.69
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133284896) is 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1ccc(N2CCN(c3nccnc3C#N)CC2)c(F)c1.
What is the InChIKey of 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MFFGVPUVEUDLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-13-9-12(10-18)1-2-15(13)22-5-7-23(8-6-22)16-14(11-19)20-3-4-21-16/h1-4,9H,5-8H2.
What are the key properties of 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 308.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).