3-piperazin-1-ylpyrazine-2-carbonitrile

C9H11N5 — CID 2760441

IUPAC3-piperazin-1-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCNCC1
InChIInChI=1S/C9H11N5/c10-7-8-9(13-2-1-12-8)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKeyWPPOBKHQDPIZPS-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.24
Rot. Bonds1

About 3-piperazin-1-ylpyrazine-2-carbonitrile

3-piperazin-1-ylpyrazine-2-carbonitrile (PubChem CID 2760441) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-piperazin-1-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-piperazin-1-ylpyrazine-2-carbonitrile
PubChem CID2760441
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-piperazin-1-ylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCNCC1
InChIInChI=1S/C9H11N5/c10-7-8-9(13-2-1-12-8)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKeyWPPOBKHQDPIZPS-UHFFFAOYSA-N
XLogP-0.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Modaline
CID 17860
3-Aminopyrazine-2,6-dicarbonitrile
CID 13925295
3-Aminopyrazine-2-carbonitrile
CID 817699
6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
5-Aminopyrazine-2-carbonitrile
CID 13925294
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
N,3-Dimethylpyrazin-2-amine
CID 44327445
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
N,6-dimethylpyrazin-2-amine
CID 55286460

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-piperazin-1-ylpyrazine-2-carbonitrile (CID 2760441) is 3-piperazin-1-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-piperazin-1-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-piperazin-1-ylpyrazine-2-carbonitrile is N#Cc1nccnc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpyrazine-2-carbonitrile?
The InChIKey is WPPOBKHQDPIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-7-8-9(13-2-1-12-8)14-5-3-11-4-6-14/h1-2,11H,3-6H2.
What are the key properties of 3-piperazin-1-ylpyrazine-2-carbonitrile?
3-piperazin-1-ylpyrazine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 2760441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).