1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone

C16H19N5O3 — CID 126562428

IUPAC1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=C(c3ccc([N+](=O)[O-])cc3)NCC=N2)CC1
InChIInChI=1S/C16H19N5O3/c1-12(22)19-8-10-20(11-9-19)16-15(17-6-7-18-16)13-2-4-14(5-3-13)21(23)24/h2-5,7,17H,6,8-11H2,1H3
InChIKeyFNQHDOUIESOPDD-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.06
Rot. Bonds3

About 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone

1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone (PubChem CID 126562428) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone
PubChem CID126562428
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=C(c3ccc([N+](=O)[O-])cc3)NCC=N2)CC1
InChIInChI=1S/C16H19N5O3/c1-12(22)19-8-10-20(11-9-19)16-15(17-6-7-18-16)13-2-4-14(5-3-13)21(23)24/h2-5,7,17H,6,8-11H2,1H3
InChIKeyFNQHDOUIESOPDD-UHFFFAOYSA-N
XLogP1.06
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone (CID 126562428) is 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=C(c3ccc([N+](=O)[O-])cc3)NCC=N2)CC1.
What is the InChIKey of 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is FNQHDOUIESOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12(22)19-8-10-20(11-9-19)16-15(17-6-7-18-16)13-2-4-14(5-3-13)21(23)24/h2-5,7,17H,6,8-11H2,1H3.
What are the key properties of 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone?
1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 329.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-nitrophenyl)-1,2-dihydropyrazin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).