5-Ethyl-2,3-dimethylpyrazine

PubChem CID: 27460

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Compound Synonyms	5-Ethyl-2,3-dimethylpyrazine, 15707-34-3, 2,3-DIMETHYL-5-ETHYLPYRAZINE, 2,3-dimethyl-6-ethylpyrazine, ethyl dimethyl pyrazine, Pyrazine, 5-ethyl-2,3-dimethyl-, 2-ethyl-5,6-dimethylpyrazine, FEMA No. 4434, UNII-6496XCH56Q, 6496XCH56Q, 5,6-Dimethyl-2-ethylpyrazine, 6-Ethyl-2,3-dimethylpyrazine, DTXSID10166207, Pyrazine, 6-ethyl-2,3-dimethyl, Pyrazine, ethyldimethyl-, ethyldimethylpyrazine, MFCD04038059, CHEMBL94736, SCHEMBL162396, DTXCID8088698, 2,3-Dimethyl-5-Ethyl Pyrazine, 5-Ethyl-2,3-dimethylpyrazine #, CHEBI:193641, AKOS006280518, DS-5245, DB-043340, CS-0152500, E0828, NS00113836, O11425, 5-Ethyl-2,3-dimethylpyrazine, analytical standard, Q27263730, 639-047-2
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Pyrazine and Piperazine alkaloids
Deep Smiles	CCccnccn6)C))C
Heavy Atom Count	10.0
Classyfire Class	Diazines
Description	Constituent of Galbanum oil. 5-Ethyl-2,3-dimethylpyrazine is found in many foods, some of which are green bell pepper, herbs and spices, orange bell pepper, and yellow bell pepper.
Scaffold Graph Node Level	C1CNCCN1
Classyfire Subclass	Pyrazines
Isotope Atom Count	0.0
Molecular Complexity	103.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5-ethyl-2,3-dimethylpyrazine
Prediction Hob	1.0
Class	Diazines
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	1.4
Superclass	Organoheterocyclic compounds
Subclass	Pyrazines
Gsk 4 400 Rule	True
Molecular Formula	C8H12N2
Scaffold Graph Node Bond Level	c1cnccn1
Prediction Swissadme	0.0
Inchi Key	CIBKSMZEVHTQLG-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.5
Rotatable Bond Count	1.0
Synonyms	2-ethyl-5,6-dimethylpyrazine, 2,3-Dimethyl-5-ethylpyrazine, 2,3-dimethyl-6-ethylpyrazine, 5,6-Dimethyl-2-ethylpyrazine, 6-Ethyl-2,3-dimethylpyrazine, Pyrazine, 6-ethyl-2,3-dimethyl, 2,3-Dimethyl-6-ethylpyrazine, 2-Ethyl-5,6-dimethylpyrazine, 2,3-dimethyl-5-ethylpyrazine
Substituent Name	Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound
Esol Class	Very soluble
Functional Groups	cnc
Compound Name	5-Ethyl-2,3-dimethylpyrazine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	136.1
Formal Charge	0.0
Monoisotopic Mass	136.1
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	136.19
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteromonocyclic compounds
Lipinski Rule Of 5	True
Esol	-1.9318275999999996
Inchi	InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
Smiles	CCC1=CN=C(C(=N1)C)C
Np Classifier Biosynthetic Pathway	Alkaloids, Amino acids and Peptides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Pyrazines
Np Classifier Superclass	Tetramate alkaloids, Peptide alkaloids

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5-Ethyl-2,3-dimethylpyrazine

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Phytochemical Properties

Associated Connections 139

Plant Connections 139