2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine

Details

• Internal ID: f83820f0-98f9-46c2-92f8-ea1587ff6d8c
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrazines > Methoxypyrazines
• IUPAC Name: 2-(3-methoxypyrazin-2-yl)butan-2-ol
• SMILES (Canonical): CCC(C)(C1=NC=CN=C1OC)O
• SMILES (Isomeric): CCC(C)(C1=NC=CN=C1OC)O
• InChI: InChI=1S/C9H14N2O2/c1-4-9(2,12)7-8(13-3)11-6-5-10-7/h5-6,12H,4H2,1-3H3
• InChI Key: CZGCZRKZCDYSBP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄N₂O₂
• Molecular Weight: 182.22 g/mol
• Exact Mass: 182.105527694 g/mol
• Topological Polar Surface Area (TPSA): 55.20 Ų
• XlogP: 0.40

Synonyms

• SCHEMBL16432135

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	96.25%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.66%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.96%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.54%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.25%	85.14%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	85.33%	92.68%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.30%	94.00%
CHEMBL4040	P28482	MAP kinase ERK2	84.74%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.60%	99.17%
CHEMBL2581	P07339	Cathepsin D	83.14%	98.95%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.37%	93.65%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.99%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.40%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101731875
• LOTUS: LTS0161192
• wikiData: Q77377853