1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one

C15H26N4O2 — CID 83105741

IUPAC1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
SMILESCCCNCC1COCCN1c1nccn(CCC)c1=O
InChIInChI=1S/C15H26N4O2/c1-3-5-16-11-13-12-21-10-9-19(13)14-15(20)18(7-4-2)8-6-17-14/h6,8,13,16H,3-5,7,9-12H2,1-2H3
InChIKeyFHHGCEBKQPOXNJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.86
Rot. Bonds7

About 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one

1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one (PubChem CID 83105741) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
PubChem CID83105741
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
SMILESCCCNCC1COCCN1c1nccn(CCC)c1=O
InChIInChI=1S/C15H26N4O2/c1-3-5-16-11-13-12-21-10-9-19(13)14-15(20)18(7-4-2)8-6-17-14/h6,8,13,16H,3-5,7,9-12H2,1-2H3
InChIKeyFHHGCEBKQPOXNJ-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 114599597
1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62928188
methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate
CID 62928174
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 63600952
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 63759679
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 115313461
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679
N-methyl-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholin-3-yl]methanamine
CID 83105530
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one?
The IUPAC name of 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one (CID 83105741) is 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one?
The canonical SMILES for 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one is CCCNCC1COCCN1c1nccn(CCC)c1=O.
What is the InChIKey of 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one?
The InChIKey is FHHGCEBKQPOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-5-16-11-13-12-21-10-9-19(13)14-15(20)18(7-4-2)8-6-17-14/h6,8,13,16H,3-5,7,9-12H2,1-2H3.
What are the key properties of 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one?
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one is sourced from PubChem (CID 83105741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).