5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one

C13H21N5O — CID 143280585

IUPAC5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESC=Cc1[nH]c(=O)c(N2CCN(C)C(CC)C2)nc1N
InChIInChI=1S/C13H21N5O/c1-4-9-8-18(7-6-17(9)3)12-13(19)15-10(5-2)11(14)16-12/h5,9H,2,4,6-8H2,1,3H3,(H2,14,16)(H,15,19)
InChIKeyNWJQBLMRWWUYRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds3

About 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one

5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one (PubChem CID 143280585) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one
PubChem CID143280585
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESC=Cc1[nH]c(=O)c(N2CCN(C)C(CC)C2)nc1N
InChIInChI=1S/C13H21N5O/c1-4-9-8-18(7-6-17(9)3)12-13(19)15-10(5-2)11(14)16-12/h5,9H,2,4,6-8H2,1,3H3,(H2,14,16)(H,15,19)
InChIKeyNWJQBLMRWWUYRO-UHFFFAOYSA-N
XLogP0.53
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-piperidin-1-yl-1H-pyrazin-2-one
CID 91052645
3-(3-Methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 55157553
3-(3,5-Dimethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 55157746
3-(2-Ethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 55218267
3-(2-Methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 62929014
1-Ethyl-3-(2-methylpiperazin-1-yl)pyrazin-2-one
CID 62929015
3-(2-Methylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 62929187
1-Ethyl-3-(3-methylpiperazin-1-yl)pyrazin-2-one
CID 62939113
3-(3-Methylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 62939114
3-(3,5-Dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
CID 62939288
3-[4-(4-Aminobutyl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62939450
3-(3,5-Dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one
CID 62939465

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one (CID 143280585) is 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one is C=Cc1[nH]c(=O)c(N2CCN(C)C(CC)C2)nc1N.
What is the InChIKey of 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The InChIKey is NWJQBLMRWWUYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-9-8-18(7-6-17(9)3)12-13(19)15-10(5-2)11(14)16-12/h5,9H,2,4,6-8H2,1,3H3,(H2,14,16)(H,15,19).
What are the key properties of 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethenyl-3-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 143280585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).