3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one

C11H18N4O2 — CID 113285121

IUPAC3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
SMILESCC(N)C1CN(c2nccn(C)c2=O)CCO1
InChIInChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyHOBULVWOOZWNHM-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.67
Rot. Bonds2

About 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one

3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one (PubChem CID 113285121) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
PubChem CID113285121
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
SMILESCC(N)C1CN(c2nccn(C)c2=O)CCO1
InChIInChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyHOBULVWOOZWNHM-UHFFFAOYSA-N
XLogP-0.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
1-[4-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]ethanamine
CID 104732835
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315766
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 113284997
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979001
1-[4-(1-cyclopentylimidazol-2-yl)morpholin-2-yl]ethanamine
CID 106553331
6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 115315777

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one (CID 113285121) is 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one is CC(N)C1CN(c2nccn(C)c2=O)CCO1.
What is the InChIKey of 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
The InChIKey is HOBULVWOOZWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7,12H2,1-2H3.
What are the key properties of 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one?
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 113285121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).