1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one

C11H15F2N3O2 — CID 103081628

IUPAC1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCOCC(F)F)nccn1C1CC1
InChIInChI=1S/C11H15F2N3O2/c12-9(13)7-18-6-4-15-10-11(17)16(5-3-14-10)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2,(H,14,15)
InChIKeyDBTPRVRDDVBSQH-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.27
Rot. Bonds7

About 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one

1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one (PubChem CID 103081628) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one
PubChem CID103081628
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCOCC(F)F)nccn1C1CC1
InChIInChI=1S/C11H15F2N3O2/c12-9(13)7-18-6-4-15-10-11(17)16(5-3-14-10)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2,(H,14,15)
InChIKeyDBTPRVRDDVBSQH-UHFFFAOYSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one (CID 103081628) is 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one is O=c1c(NCCOCC(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one?
The InChIKey is DBTPRVRDDVBSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-9(13)7-18-6-4-15-10-11(17)16(5-3-14-10)8-1-2-8/h3,5,8-9H,1-2,4,6-7H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one has a molecular weight of 259.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103081628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).