4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione

C11H15N5O2 — CID 66068280

IUPAC4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nccnc1CN
InChIInChI=1S/C11H15N5O2/c1-2-8-11(18)15-9(17)6-16(8)10-7(5-12)13-3-4-14-10/h3-4,8H,2,5-6,12H2,1H3,(H,15,17,18)
InChIKeyZHBLWKOBFPIIKS-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.82
Rot. Bonds3

About 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione

4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione (PubChem CID 66068280) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
PubChem CID66068280
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nccnc1CN
InChIInChI=1S/C11H15N5O2/c1-2-8-11(18)15-9(17)6-16(8)10-7(5-12)13-3-4-14-10/h3-4,8H,2,5-6,12H2,1H3,(H,15,17,18)
InChIKeyZHBLWKOBFPIIKS-UHFFFAOYSA-N
XLogP-0.82
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66067833
4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66319098
3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851469
5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
CID 114406910
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 102762240
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylpiperazine-2,6-dione
CID 81037837
3-ethyl-4-[5-(hydroxymethyl)pyrimidin-2-yl]piperazine-2,6-dione
CID 113387881
3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
CID 80925457
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288
4-(4-chlorophthalazin-1-yl)-3-ethylpiperazine-2,6-dione
CID 66067447

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione (CID 66068280) is 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1nccnc1CN.
What is the InChIKey of 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione?
The InChIKey is ZHBLWKOBFPIIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-8-11(18)15-9(17)6-16(8)10-7(5-12)13-3-4-14-10/h3-4,8H,2,5-6,12H2,1H3,(H,15,17,18).
What are the key properties of 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione?
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).