3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one

C12H20N4O — CID 55132923

IUPAC3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
SMILESCCN1CCCC1CNc1nccn(C)c1=O
InChIInChI=1S/C12H20N4O/c1-3-16-7-4-5-10(16)9-14-11-12(17)15(2)8-6-13-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,13,14)
InChIKeyZDMPEQPLSIGCTI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one

3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one (PubChem CID 55132923) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
PubChem CID55132923
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
SMILESCCN1CCCC1CNc1nccn(C)c1=O
InChIInChI=1S/C12H20N4O/c1-3-16-7-4-5-10(16)9-14-11-12(17)15(2)8-6-13-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,13,14)
InChIKeyZDMPEQPLSIGCTI-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one (CID 55132923) is 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one is CCN1CCCC1CNc1nccn(C)c1=O.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one?
The InChIKey is ZDMPEQPLSIGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-7-4-5-10(16)9-14-11-12(17)15(2)8-6-13-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,13,14).
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one?
3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).