3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one

C11H19N3O — CID 143038659

IUPAC3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
SMILESCCCNCCn1c(C)cnc(C)c1=O
InChIInChI=1S/C11H19N3O/c1-4-5-12-6-7-14-9(2)8-13-10(3)11(14)15/h8,12H,4-7H2,1-3H3
InChIKeyGBRVMEKGPVSPQV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds5

About 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one

3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one (PubChem CID 143038659) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
PubChem CID143038659
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
SMILESCCCNCCn1c(C)cnc(C)c1=O
InChIInChI=1S/C11H19N3O/c1-4-5-12-6-7-14-9(2)8-13-10(3)11(14)15/h8,12H,4-7H2,1-3H3
InChIKeyGBRVMEKGPVSPQV-UHFFFAOYSA-N
XLogP0.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1H-pyrazin-2-one
CID 13123639
3,6-Dimethylpyrazin-2-ol
CID 12565999
N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide
CID 88957853
2,5-Dimethyl-3-methylidene-1,2-dihydropyrazin-6-one
CID 90868264
N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
CID 129060121
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
CID 129060184
N-[2-(2-aminoethylamino)ethyl]-1-methoxy-6-methyl-1,2-dihydropyrazin-1-ium-3-carboxamide
CID 144167526
N,N-diethyl-2,6-dimethyl-1,2-dihydropyrazin-1-ium-3-carboxamide
CID 164047734
3,5-dimethyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
CID 166162682
3-Methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one
CID 166162684

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one?
The IUPAC name of 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one (CID 143038659) is 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one.
What is the SMILES notation for 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one?
The canonical SMILES for 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one is CCCNCCn1c(C)cnc(C)c1=O.
What is the InChIKey of 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one?
The InChIKey is GBRVMEKGPVSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-12-6-7-14-9(2)8-13-10(3)11(14)15/h8,12H,4-7H2,1-3H3.
What are the key properties of 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one?
3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one is sourced from PubChem (CID 143038659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).