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

C15H16N6 — CID 62672376

IUPAC3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C15H16N6/c16-11-13-15(19-6-5-18-13)21-9-7-20(8-10-21)14-4-2-1-3-12(14)17/h1-6H,7-10,17H2
InChIKeyNRHWFGGEPDVASM-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.26
Rot. Bonds2

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

3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 62672376) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID62672376
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C15H16N6/c16-11-13-15(19-6-5-18-13)21-9-7-20(8-10-21)14-4-2-1-3-12(14)17/h1-6H,7-10,17H2
InChIKeyNRHWFGGEPDVASM-UHFFFAOYSA-N
XLogP1.26
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 62672376) is 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2ccccc2N)CC1.
What is the InChIKey of 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is NRHWFGGEPDVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-11-13-15(19-6-5-18-13)21-9-7-20(8-10-21)14-4-2-1-3-12(14)17/h1-6H,7-10,17H2.
What are the key properties of 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 280.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).