Methylpyrazine
AlkaPlorer ID: AK001728
Synonym: 'Pyrazine,methyl-', 'Methyl-Pyrazine', '109-08-0', '2-Methylpyrazine', '2-Methyl-1,4-diazine', 'FEMA 3309', '2-Methyl-Pyrazine'
IUPAC Name: 2-methylpyrazine
Structure
SMILES: CC1=CN=CC=N1
InChI: InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Reference
New volatile constituents of black tea aroma
PubChem CID: 7976
CAS: 109-07-9
LOTUS: LTS0117714
SuperNatural Ⅲ: SN0040749
COCONUT: CNP0285763
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theobroma cacao | Theobroma | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 94.117
TPSA？: 25.78
MolLogP？: 0.7850199999999998
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | HepG2 | Potency | 2511.9 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 14125.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 4466.8 | nM | None |
| None | No relevant target | LogP | -0.79 | None | 10.1021/jm701549s |
| None | No relevant target | LogP | 0.23 | None | 10.1021/jm701549s |