3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile

C9H9N5O — CID 62685201

IUPAC3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCNC(=O)C1
InChIInChI=1S/C9H9N5O/c10-5-7-9(13-2-1-11-7)14-4-3-12-8(15)6-14/h1-2H,3-4,6H2,(H,12,15)
InChIKeyLTIVSLTVJJIUFY-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.72
Rot. Bonds1

About 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile

3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile (PubChem CID 62685201) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile
PubChem CID62685201
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCNC(=O)C1
InChIInChI=1S/C9H9N5O/c10-5-7-9(13-2-1-11-7)14-4-3-12-8(15)6-14/h1-2H,3-4,6H2,(H,12,15)
InChIKeyLTIVSLTVJJIUFY-UHFFFAOYSA-N
XLogP-0.72
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
3-(3-oxopiperazin-1-yl)pyrazine-2-carbothioamide
CID 62685119
6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 155342249
3-[(1R,2S,3R,4S)-4-hydroxy-1-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-6-yl]pyrazine-2-carbonitrile
CID 162634131
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
CID 126993543
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
3-(diazinan-1-yl)pyrazine-2-carbonitrile
CID 131042835
3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 91406817
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzonitrile
CID 43153554

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile (CID 62685201) is 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCNC(=O)C1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is LTIVSLTVJJIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-5-7-9(13-2-1-11-7)14-4-3-12-8(15)6-14/h1-2H,3-4,6H2,(H,12,15).
What are the key properties of 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile?
3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).