2-[(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 69433362

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIKey
BNGKAJIJTKTHPF-UHFFFAOYSA-N
Molecular formula
C18H24N8O3
Average molar mass
400.4 g/mol

Names & identifiers

Preferred name
2-[(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL5415881BNGKAJIJTKTHPF-UHFFFAOYSA-N2-[(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
69433362

Properties

Computed structural properties

XLogP
2
Topological polar surface area
137 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
29

Related reactions

3 records

Compound notes

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