6-Bromo-4-((cis)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

HCID 86644649

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Basic information

CAS: 1228014-24-1
Standard SMILES: COC1CCC(N2CC(=O)Nc3ncc(Br)nc32)CC1
InChIKey: FYVYOLIUEIUYBG-UHFFFAOYSA-N
Molecular formula: C13H17BrN4O2
Average molar mass: 341.2 g/mol

Names & identifiers

Preferred name: 6-Bromo-4-((cis)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
IUPAC: 2-bromo-8-(4-methoxycyclohexyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

Names & synonyms

SCHEMBL151708SCHEMBL151709SCHEMBL29522623FYVYOLIUEIUYBG-DTORHVGOSA-NDTXSID7011362416-Bromo-3,4-dihydro-4-(cis-4-methoxycyclohexyl)pyrazino[2,3-b]pyrazin-2(1H)-one6-Bromo-4-((cis)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one6-Bromo-4-[(1s,4s)-4-methoxycyclohexyl]-4,8-dihydropyrazino[2,3-b]pyrazin-2(3H)-one1228014-24-1

Database identifiers

CAS: 1228014-24-1
PubChem CID: 86644649
DTXSID: DTXSID701136241

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 362

Related reactions

1 records

New reaction record

HRID 684380As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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