1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one

C11H18N4O2 — CID 98013250

IUPAC1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCN(C[C@@H]1CNCCO1)c1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-14-5-3-13-10(11(14)16)15(2)8-9-7-12-4-6-17-9/h3,5,9,12H,4,6-8H2,1-2H3/t9-/m0/s1
InChIKeyQYLIORDKXKKBFM-VIFPVBQESA-N
MW238.29 g/mol
LogP-0.80
Rot. Bonds3

About 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one

1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one (PubChem CID 98013250) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
PubChem CID98013250
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
SMILESCN(C[C@@H]1CNCCO1)c1nccn(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-14-5-3-13-10(11(14)16)15(2)8-9-7-12-4-6-17-9/h3,5,9,12H,4,6-8H2,1-2H3/t9-/m0/s1
InChIKeyQYLIORDKXKKBFM-VIFPVBQESA-N
XLogP-0.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one (CID 98013250) is 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one is CN(C[C@@H]1CNCCO1)c1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one?
The InChIKey is QYLIORDKXKKBFM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-5-3-13-10(11(14)16)15(2)8-9-7-12-4-6-17-9/h3,5,9,12H,4,6-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 98013250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).