3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one

C10H16N4O — CID 115650134

IUPAC3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCCN1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O/c1-2-13-5-7-14(8-6-13)9-10(15)12-4-3-11-9/h3-4H,2,5-8H2,1H3,(H,12,15)
InChIKeyVCNRJYWWNTZSFB-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.09
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one

3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one (PubChem CID 115650134) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one
PubChem CID115650134
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCCN1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O/c1-2-13-5-7-14(8-6-13)9-10(15)12-4-3-11-9/h3-4H,2,5-8H2,1H3,(H,12,15)
InChIKeyVCNRJYWWNTZSFB-UHFFFAOYSA-N
XLogP-0.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one (CID 115650134) is 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one is CCN1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one?
The InChIKey is VCNRJYWWNTZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-13-5-7-14(8-6-13)9-10(15)12-4-3-11-9/h3-4H,2,5-8H2,1H3,(H,12,15).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one?
3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115650134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).