3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile

C13H18N6O — CID 133283160

IUPAC3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(=O)N1CCN(CCNc2nccnc2C#N)CC1
InChIInChI=1S/C13H18N6O/c1-11(20)19-8-6-18(7-9-19)5-4-17-13-12(10-14)15-2-3-16-13/h2-3H,4-9H2,1H3,(H,16,17)
InChIKeySKEDHKYXBGLLIL-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.08
Rot. Bonds4

About 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile

3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133283160) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133283160
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(=O)N1CCN(CCNc2nccnc2C#N)CC1
InChIInChI=1S/C13H18N6O/c1-11(20)19-8-6-18(7-9-19)5-4-17-13-12(10-14)15-2-3-16-13/h2-3H,4-9H2,1H3,(H,16,17)
InChIKeySKEDHKYXBGLLIL-UHFFFAOYSA-N
XLogP-0.08
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile (CID 133283160) is 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile is CC(=O)N1CCN(CCNc2nccnc2C#N)CC1.
What is the InChIKey of 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is SKEDHKYXBGLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-11(20)19-8-6-18(7-9-19)5-4-17-13-12(10-14)15-2-3-16-13/h2-3H,4-9H2,1H3,(H,16,17).
What are the key properties of 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).