9-bromo-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one

HCID 86705385
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Basic information

Standard SMILES
COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1
InChIKey
RIIKNCFYSZJZMK-UHFFFAOYSA-N
Molecular formula
C16H12BrN5O2
Average molar mass
386.2 g/mol

Names & identifiers

Preferred name
9-bromo-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
IUPAC
12-bromo-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

Names & synonyms

9-bromo-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-oneCHEMBL5997153SCHEMBL16788472RIIKNCFYSZJZMK-UHFFFAOYSA-N

Database identifiers

PubChem CID
86705385
ChEMBL
CHEMBL5997153

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
73.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

11 records
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Linked notes

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