6-Bromo-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

HCID 71567083

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CN(CCC2CCOCC2)c2nc(Br)cnc2N1
InChIKey: XHIYPVIUDQOFBN-UHFFFAOYSA-N
Molecular formula: C13H17BrN4O2
Average molar mass: 341.2 g/mol

Names & identifiers

Preferred name: 6-Bromo-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
IUPAC: 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

Names & synonyms

SCHEMBL154634SCHEMBL29522003XHIYPVIUDQOFBN-UHFFFAOYSA-N6-Bromo-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Database identifiers

PubChem CID: 71567083

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 351

Related reactions

10 records

New reaction record

HRID 144022As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 307197As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 717132As productuspto-grants-2015_11

HRID 717134As reactantuspto-grants-2015_11

HRID 1047222As productuspto-grants-2013_10

HRID 1047224As reactantuspto-grants-2013_10

HRID 1401176As productuspto-grants-2014_12

HRID 1401178As reactantuspto-grants-2014_12

Compound notes

Loading…