6-[(6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl]-7-fluoroquinoline

HCID 59341836

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cc2ncccc2cc1Cn1nnc2ncc(Br)nc21
InChIKey: QKGGHEFVNDCERW-UHFFFAOYSA-N
Molecular formula: C14H8BrFN6
Average molar mass: 359.16 g/mol

Names & identifiers

Preferred name: 6-[(6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl]-7-fluoroquinoline
IUPAC: 6-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-7-fluoroquinoline

Names & synonyms

6-[(6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl]-7-fluoroquinolineSCHEMBL1163531QKGGHEFVNDCERW-UHFFFAOYSA-NDB-2073426-(6-bromo-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl)-7-fluoro-quinoline956907-27-0

Database identifiers

PubChem CID: 59341836

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 402

Related reactions

9 records

New reaction record

HRID 16016As reactantuspto-grants-2010_06

HRID 158020As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167606As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 456165As productuspto-grants-2013_07

HRID 456166As reactantuspto-grants-2013_07

HRID 1892336As productuspto-grants-2013_08

HRID 1892337As reactantuspto-grants-2013_08

HRID 1959674As productuspto-grants-2013_04

Compound notes

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