acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile

C11H15N5O2 — CID 90674674

IUPACacetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile
SMILESCC(=O)O.N#Cc1cncc(N2CCNCC2)n1
InChIInChI=1S/C9H11N5.C2H4O2/c10-5-8-6-12-7-9(13-8)14-3-1-11-2-4-14;1-2(3)4/h6-7,11H,1-4H2;1H3,(H,3,4)
InChIKeyGNMFITHWEVYUCL-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.15
Rot. Bonds1

About acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile

acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile (PubChem CID 90674674) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Nameacetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile
PubChem CID90674674
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameacetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile
SMILESCC(=O)O.N#Cc1cncc(N2CCNCC2)n1
InChIInChI=1S/C9H11N5.C2H4O2/c10-5-8-6-12-7-9(13-8)14-3-1-11-2-4-14;1-2(3)4/h6-7,11H,1-4H2;1H3,(H,3,4)
InChIKeyGNMFITHWEVYUCL-UHFFFAOYSA-N
XLogP-0.15
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile?
The IUPAC name of acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile (CID 90674674) is acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile.
What is the SMILES notation for acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile?
The canonical SMILES for acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile is CC(=O)O.N#Cc1cncc(N2CCNCC2)n1.
What is the InChIKey of acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile?
The InChIKey is GNMFITHWEVYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5.C2H4O2/c10-5-8-6-12-7-9(13-8)14-3-1-11-2-4-14;1-2(3)4/h6-7,11H,1-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile?
acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 90674674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).