2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile

C13H17N5O — CID 105351139

IUPAC2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H17N5O/c1-2-11(9-14)17-5-7-18(8-6-17)13(19)12-10-15-3-4-16-12/h3-4,10-11H,2,5-8H2,1H3
InChIKeyJDZBJSZGLWJVIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.54
Rot. Bonds3

About 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile

2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile (PubChem CID 105351139) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
PubChem CID105351139
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C13H17N5O/c1-2-11(9-14)17-5-7-18(8-6-17)13(19)12-10-15-3-4-16-12/h3-4,10-11H,2,5-8H2,1H3
InChIKeyJDZBJSZGLWJVIQ-UHFFFAOYSA-N
XLogP0.54
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
2-[4-(3-methylpyridine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 63337428
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
CID 115298698
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]butanenitrile
CID 114559213
2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337775
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile (CID 105351139) is 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile?
The InChIKey is JDZBJSZGLWJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-11(9-14)17-5-7-18(8-6-17)13(19)12-10-15-3-4-16-12/h3-4,10-11H,2,5-8H2,1H3.
What are the key properties of 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile?
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile has a molecular weight of 259.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 105351139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).