piperazine-2-carbonitrile;1H-pyrrole

C9H14N4 — CID 174840576

IUPACpiperazine-2-carbonitrile;1H-pyrrole
SMILESN#CC1CNCCN1.c1cc[nH]c1
InChIInChI=1S/C5H9N3.C4H5N/c6-3-5-4-7-1-2-8-5;1-2-4-5-3-1/h5,7-8H,1-2,4H2;1-5H
InChIKeyPNKGYOAIYJKRAD-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.09
Rot. Bonds

About piperazine-2-carbonitrile;1H-pyrrole

piperazine-2-carbonitrile;1H-pyrrole (PubChem CID 174840576) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is piperazine-2-carbonitrile;1H-pyrrole.

Molecular Properties

Compound Namepiperazine-2-carbonitrile;1H-pyrrole
PubChem CID174840576
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Namepiperazine-2-carbonitrile;1H-pyrrole
SMILESN#CC1CNCCN1.c1cc[nH]c1
InChIInChI=1S/C5H9N3.C4H5N/c6-3-5-4-7-1-2-8-5;1-2-4-5-3-1/h5,7-8H,1-2,4H2;1-5H
InChIKeyPNKGYOAIYJKRAD-UHFFFAOYSA-N
XLogP0.09
TPSA63.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine-2-carbonitrile;1H-pyrrole?
The IUPAC name of piperazine-2-carbonitrile;1H-pyrrole (CID 174840576) is piperazine-2-carbonitrile;1H-pyrrole.
What is the SMILES notation for piperazine-2-carbonitrile;1H-pyrrole?
The canonical SMILES for piperazine-2-carbonitrile;1H-pyrrole is N#CC1CNCCN1.c1cc[nH]c1.
What is the InChIKey of piperazine-2-carbonitrile;1H-pyrrole?
The InChIKey is PNKGYOAIYJKRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C4H5N/c6-3-5-4-7-1-2-8-5;1-2-4-5-3-1/h5,7-8H,1-2,4H2;1-5H.
What are the key properties of piperazine-2-carbonitrile;1H-pyrrole?
piperazine-2-carbonitrile;1H-pyrrole has a molecular weight of 178.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-carbonitrile;1H-pyrrole is sourced from PubChem (CID 174840576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).