3-(3-methoxypropylamino)-1-methylpyrazin-2-one

C9H15N3O2 — CID 62939042

IUPAC3-(3-methoxypropylamino)-1-methylpyrazin-2-one
SMILESCOCCCNc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-12-6-5-11-8(9(12)13)10-4-3-7-14-2/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyVTNKDWJACAQCST-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.23
Rot. Bonds5

About 3-(3-methoxypropylamino)-1-methylpyrazin-2-one

3-(3-methoxypropylamino)-1-methylpyrazin-2-one (PubChem CID 62939042) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-1-methylpyrazin-2-one
PubChem CID62939042
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(3-methoxypropylamino)-1-methylpyrazin-2-one
SMILESCOCCCNc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-12-6-5-11-8(9(12)13)10-4-3-7-14-2/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyVTNKDWJACAQCST-UHFFFAOYSA-N
XLogP0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
3-[(2-chloro-3-methoxypropyl)amino]-1-methylpyrazin-2-one
CID 65027955
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
CID 103702647
3-[2-[ethyl(methyl)amino]ethylamino]-1-methylpyrazin-2-one
CID 62938529
1-methyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 55130602
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrazin-2-one
CID 103696656
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939727
3-[3-(2-aminoethoxy)propylamino]-1-propan-2-ylpyrazin-2-one
CID 106308205

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3-methoxypropylamino)-1-methylpyrazin-2-one (CID 62939042) is 3-(3-methoxypropylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3-methoxypropylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3-methoxypropylamino)-1-methylpyrazin-2-one is COCCCNc1nccn(C)c1=O.
What is the InChIKey of 3-(3-methoxypropylamino)-1-methylpyrazin-2-one?
The InChIKey is VTNKDWJACAQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-6-5-11-8(9(12)13)10-4-3-7-14-2/h5-6H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of 3-(3-methoxypropylamino)-1-methylpyrazin-2-one?
3-(3-methoxypropylamino)-1-methylpyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 62939042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).