1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one

C12H19N3O2 — CID 55156047

IUPAC1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCC(C)NCCOc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)13-6-8-17-11-12(16)15(7-5-14-11)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyJPLMILUTYDLZAB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds6

About 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one

1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (PubChem CID 55156047) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
PubChem CID55156047
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCC(C)NCCOc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)13-6-8-17-11-12(16)15(7-5-14-11)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyJPLMILUTYDLZAB-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
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

6-[(Z)-2-aminoethenyl]imino-5-ethyl-4-propan-2-ylmorpholin-3-one
CID 139516256
1-Propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
CID 55155853
1-Ethyl-3-[3-(propan-2-ylamino)propoxy]pyrazin-2-one
CID 55156238
1-Tert-butyl-3-[3-(propan-2-ylamino)propoxy]pyrazin-2-one
CID 55156239
1-Cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one
CID 62927319
1-Propan-2-yl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
CID 62927321
1-Ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
CID 62927322
3-[2-(Methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one
CID 62927490
1-Ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
CID 62927491
3-[2-(Propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one
CID 62927492
1-(2-Methylpropyl)-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
CID 62927493
3-[2-(Methylamino)ethoxy]-1-propylpyrazin-2-one
CID 62927661

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (CID 55156047) is 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is CC(C)NCCOc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The InChIKey is JPLMILUTYDLZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)13-6-8-17-11-12(16)15(7-5-14-11)10-3-4-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 55156047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).