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

Details

• Internal ID: 628dc178-db67-4f06-b022-d729cd62051d
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrazines > Methoxypyrazines
• IUPAC Name: 1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
• SMILES (Canonical): CC(C)C(C1=NC=CN=C1OC)O
• SMILES (Isomeric): CC(C)C(C1=NC=CN=C1OC)O
• InChI: InChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3
• InChI Key: RZXMLQNGLFUMLB-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: 0.60

Synonyms

• 1-(3-Methoxy-2-pyrazinyl)-2-methyl-1-propanol
• SCHEMBL16432061
• RZXMLQNGLFUMLB-UHFFFAOYSA-N

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	96.10%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.47%	85.14%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	88.96%	93.10%
CHEMBL2581	P07339	Cathepsin D	85.42%	98.95%
CHEMBL4208	P20618	Proteasome component C5	84.98%	90.00%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	84.84%	100.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.83%	90.24%
CHEMBL1937	Q92769	Histone deacetylase 2	81.68%	94.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.33%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 587218
• LOTUS: LTS0060645
• wikiData: Q77624697