7-(1,3-benzodioxol-5-yl)-5-methyl-N-(3,4,5-trimethoxy-phenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

HCID 11487366
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Basic information

Standard SMILES
COc1cc(Nc2ncc3c(C)nc(-c4ccc5c(c4)OCO5)n3n2)cc(OC)c1OC
InChIKey
QTNMWPXPCNICKM-UHFFFAOYSA-N
Molecular formula
C22H21N5O5
Average molar mass
435.4 g/mol
Monoisotopic mass
435.15426879

Names & identifiers

Preferred name
7-(1,3-benzodioxol-5-yl)-5-methyl-N-(3,4,5-trimethoxy-phenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
IUPAC
7-(1,3-benzodioxol-5-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

Names & synonyms

SCHEMBL3991788QTNMWPXPCNICKM-UHFFFAOYSA-N7-(1,3-benzodioxol-5-yl)-5-methyl-N-(3,4,5-trimethoxy-phenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

Database identifiers

PubChem CID
11487366

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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