Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 392
- Core Entity Id
- 3629
- Source Entity Count
- 1
- Preferred Name
- 2,3,5-three methyl-6-ethylpyrazine
- Name En
- Pubchem Id
- 28518
- Smiles Canonical
- CCC1=NC(=C(N=C1C)C)C
- Molecular Formula
- C9H14N2
- Molecular Weight
- 150.2250
- Inchikey
- FPOLJKZKOKXIFE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
- Isomeric Smiles
- CCC1=NC(=C(N=C1C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 1.9643
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,5- three methyl-6-Ethylpyrazine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,5-three methyl-6-ethylpyrazine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3,5-three methyl-6-ethylpyrazine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
17398-16-2
Role
alias
Source
HERB_v2
Preferred
No
Name
17398-16-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,5-Trimethyl-6-ethylpyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,5-Trimethyl-6-ethylpyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,6-Trimethyl-5-ethylpyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,6-Trimethyl-5-ethylpyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-ETHYL-3,5,6-TRIMETHYLPYRAZINE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ETHYL-3,5,6-TRIMETHYLPYRAZINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyltrimethylpyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyltrimethylpyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
HGS2G1S1XY
Role
alias
Source
HERB_v2
Preferred
No
Name
HGS2G1S1XY
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrazine, 2-ethyl-3,5,6-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrazine, 2-ethyl-3,5,6-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrazine, ethyltrimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrazine, ethyltrimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trimethylethylpyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
Trimethylethylpyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-HGS2G1S1XY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-HGS2G1S1XY
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,5- three methyl-6-Ethylpyrazine17398-16-22,3,5-Trimethyl-6-ethylpyrazine2,3,6-Trimethyl-5-ethylpyrazine2-ETHYL-3,5,6-TRIMETHYLPYRAZINEEthyltrimethylpyrazineHGS2G1S1XYPyrazine, 2-ethyl-3,5,6-trimethyl-Pyrazine, ethyltrimethyl-TrimethylethylpyrazineUNII-HGS2G1S1XY
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003921
Tcmid
41494
Pub Chem
28518
Tcmbank
TCMBANKIN003629
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
Mol Wt
150.225
Smiles
CCC1=NC(=C(N=C1C)C)C
Mol Log P
1.96426
In Ch Ikey
FPOLJKZKOKXIFE-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.611
Num Hacceptors
2
Isomeric Smiles
CCC1=NC(=C(N=C1C)C)C
Canonical Smiles
CCC1=NC(=C(N=C1C)C)C
Herb Alias Names
2-ETHYL-3,5,6-TRIMETHYLPYRAZINE17398-16-2EthyltrimethylpyrazinePyrazine, ethyltrimethyl-Pyrazine, 2-ethyl-3,5,6-trimethyl-2,3,5-Trimethyl-6-ethylpyrazineTrimethylethylpyrazineUNII-HGS2G1S1XY2,3,6-Trimethyl-5-ethylpyrazineHGS2G1S1XY
Molecular Formula
C9H14N2
Molecular Formula
C9H14N2
Num Rotatable Bonds
1