5-(5-bromo-1-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

HCID 68182121
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CN(C)c2ncnn3c(C)nc(-c4cnn(C)c4Br)c23)cc1
InChIKey
TWMJOEYHLIEQJF-UHFFFAOYSA-N
Molecular formula
C19H20BrN7O
Average molar mass
442.3 g/mol
Monoisotopic mass
441.09127

Names & identifiers

Preferred name
5-(5-bromo-1-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
IUPAC
5-(5-bromo-1-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

Names & synonyms

SCHEMBL11971352TWMJOEYHLIEQJF-UHFFFAOYSA-N5-(5-bromo-1-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine

Database identifiers

PubChem CID
68182121

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
73.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
28

Related reactions

5 records
New reaction record

Linked notes

Loading…