3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one

C11H18N4O2 — CID 115656848

IUPAC3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O2/c16-11-10(13-3-4-14-11)12-2-1-5-15-6-8-17-9-7-15/h3-4H,1-2,5-9H2,(H,12,13)(H,14,16)
InChIKeyAQPUOZSOLCRHAM-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds5

About 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one

3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one (PubChem CID 115656848) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
PubChem CID115656848
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O2/c16-11-10(13-3-4-14-11)12-2-1-5-15-6-8-17-9-7-15/h3-4H,1-2,5-9H2,(H,12,13)(H,14,16)
InChIKeyAQPUOZSOLCRHAM-UHFFFAOYSA-N
XLogP-0.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
CID 11823900
6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487909

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one (CID 115656848) is 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one?
The InChIKey is AQPUOZSOLCRHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11-10(13-3-4-14-11)12-2-1-5-15-6-8-17-9-7-15/h3-4H,1-2,5-9H2,(H,12,13)(H,14,16).
What are the key properties of 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one?
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115656848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).