7,8-dihydro-5H-pyrano[3,4-b]pyrazin-7-ylmethyl acetate

Details

• Internal ID: ecbc77b7-33a3-45af-8c84-7c88c581514b
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrazines
• IUPAC Name: 7,8-dihydro-5H-pyrano[3,4-b]pyrazin-7-ylmethyl acetate
• SMILES (Canonical): CC(=O)OCC1CC2=NC=CN=C2CO1
• SMILES (Isomeric): CC(=O)OCC1CC2=NC=CN=C2CO1
• InChI: InChI=1S/C10H12N2O3/c1-7(13)14-5-8-4-9-10(6-15-8)12-3-2-11-9/h2-3,8H,4-6H2,1H3
• InChI Key: VKWAZWHXIDFFQT-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂N₂O₃
• Molecular Weight: 208.21 g/mol
• Exact Mass: 208.08479225 g/mol
• Topological Polar Surface Area (TPSA): 61.30 Ų
• XlogP: -0.50

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.71%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.46%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	85.96%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.13%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.10%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.92%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.03%	94.45%
CHEMBL2581	P07339	Cathepsin D	81.58%	98.95%
CHEMBL2243	O00519	Anandamide amidohydrolase	80.25%	97.53%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162911835
• LOTUS: LTS0094409
• wikiData: Q105288140