2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile

C13H19N5O — CID 114570663

IUPAC2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H19N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)12-13(19)16-5-4-15-12/h4-5,11H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyWEKITLRSVJGDTL-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.58
Rot. Bonds4

About 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile

2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile (PubChem CID 114570663) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
PubChem CID114570663
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H19N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)12-13(19)16-5-4-15-12/h4-5,11H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyWEKITLRSVJGDTL-UHFFFAOYSA-N
XLogP0.58
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 136973053
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
CID 63343860
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 103582224
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 63343513
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
CID 63343858
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-(3-amino-3-ethylazetidin-1-yl)-1H-pyrazin-2-one
CID 114571479
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 114571063
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile (CID 114570663) is 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is WEKITLRSVJGDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)12-13(19)16-5-4-15-12/h4-5,11H,2-3,6-9H2,1H3,(H,16,19).
What are the key properties of 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile?
2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 261.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 114570663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).