3,5-Dimethyl-2-propylpyrazine

Details

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Internal ID 2b5e8acb-0633-4cf0-b7a0-bf6e8c366e62
Taxonomy Organoheterocyclic compounds > Diazines > Pyrazines
IUPAC Name 3,5-dimethyl-2-propylpyrazine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3
InChI Key UTRAUCDSVCDVIW-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C9H14N2
Molecular Weight 150.22 g/mol
Exact Mass 150.115698455 g/mol
Topological Polar Surface Area (TPSA) 25.80 Ų
XlogP 1.70

Synonyms

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32350-16-6
2,6-Dimethyl-3-propylpyrazine
EINECS 251-006-7
2-Propyl-3,5(3,6)-dimethylpyrazine
2,6-Dimethyl-3-pyropylpyrazine
3,5-DIMETHYL-2-PROPYL-PYRAZINE
2,6-Dimethyl-3-propyl-Pyrazine
DTXSID20186072
Pyrazine, 2,6-dimethyl-3-propyl-
RefChem:91584
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3,5-Dimethyl-2-propylpyrazine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL230 P35354 Cyclooxygenase-2 94.76% 89.63%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 90.64% 93.65%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.09% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.98% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 84.49% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.43% 94.00%
CHEMBL2581 P07339 Cathepsin D 80.96% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 80.09% 93.31%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 80.02% 95.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 122594
LOTUS LTS0095250
wikiData Q83057269