1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione

C12H21N3O2 — CID 55156049

IUPAC1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(C)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-13-10(2)6-5-7-15-9-8-14(3)11(16)12(15)17/h8-10,13H,4-7H2,1-3H3
InChIKeyNOPZSOFCKPIDLH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.33
Rot. Bonds6

About 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione

1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione (PubChem CID 55156049) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione
PubChem CID55156049
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(C)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-13-10(2)6-5-7-15-9-8-14(3)11(16)12(15)17/h8-10,13H,4-7H2,1-3H3
InChIKeyNOPZSOFCKPIDLH-UHFFFAOYSA-N
XLogP0.33
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione (CID 55156049) is 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione is CCNC(C)CCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione?
The InChIKey is NOPZSOFCKPIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-10(2)6-5-7-15-9-8-14(3)11(16)12(15)17/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione?
1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione has a molecular weight of 239.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)pentyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 55156049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).