1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione

C12H17N5O2 — CID 103057285

IUPAC1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
SMILESCCNc1cnc(CN2CCN(C)C(=O)C2=O)cn1
InChIInChI=1S/C12H17N5O2/c1-3-13-10-7-14-9(6-15-10)8-17-5-4-16(2)11(18)12(17)19/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyNHWKENXNKHJHAC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.29
Rot. Bonds4

About 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione

1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione (PubChem CID 103057285) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
PubChem CID103057285
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
SMILESCCNc1cnc(CN2CCN(C)C(=O)C2=O)cn1
InChIInChI=1S/C12H17N5O2/c1-3-13-10-7-14-9(6-15-10)8-17-5-4-16(2)11(18)12(17)19/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyNHWKENXNKHJHAC-UHFFFAOYSA-N
XLogP-0.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 103061454
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103057808
1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
CID 103054656
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 103056326
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103055473
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione
CID 112751343

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione (CID 103057285) is 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione is CCNc1cnc(CN2CCN(C)C(=O)C2=O)cn1.
What is the InChIKey of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione?
The InChIKey is NHWKENXNKHJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-13-10-7-14-9(6-15-10)8-17-5-4-16(2)11(18)12(17)19/h6-7H,3-5,8H2,1-2H3,(H,13,15).
What are the key properties of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione?
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione has a molecular weight of 263.30 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 103057285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).