Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 532
- Core Entity Id
- 3785
- Source Entity Count
- 1
- Preferred Name
- 2,3-dimethylpyrazine
- Name En
- Pubchem Id
- 22201
- Smiles Canonical
- CC1=NC=CN=C1C
- Molecular Formula
- C6H8N2
- Molecular Weight
- 108.1440
- Inchikey
- OXQOBQJCDNLAPO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
- Isomeric Smiles
- CC1=NC=CN=C1C
- Cas Id
- 5910-89-4
- Ob Score
- 30.8160
- Mol Logp
- 1.0934
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dimethylpyrazine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3-DIMETHYLPYRAZINE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-DIMETHYLPYRAZINE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3-Dimethylpyrazine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3-dimethylpyrazine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-dimethylpyrazine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
199400_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dimethyl-1,4-diazine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dimethyl-1,4-diazine
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dimethyl-1,4-diazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dimethyl-pyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dimethyl-pyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dimethylpyrazine (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-dimethylpyrazine
Role
alias
Source
TCMBank
Preferred
No
Name
25704-73-8
Role
alias
Source
HERB_v2
Preferred
No
Name
25704-73-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
5910-89-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
5910-89-4
Role
alias
Source
HERB_v2
Preferred
No
Name
5910-89-4
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2928
Role
alias
Source
TCMBank
Preferred
No
Name
Dimethylpyrazine
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylpyrazine
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 227-630-0
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3271
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3271
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3271
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrazine, 2,3-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrazine, 2,3-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrazine, 2,3-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrazine, dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrazine, dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
W327107_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WHF7883D0V
Role
alias
Source
HERB_v2
Preferred
No
Name
WHF7883D0V
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC00003183
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
199400_ALDRICH2,3-Dimethyl-1,4-diazine2,3-Dimethyl-pyrazine2,3-Dimethylpyrazine (natural)25704-73-85910-89-4CCRIS 2928DimethylpyrazineEINECS 227-630-0FEMA No. 3271InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2HPyrazine, 2,3-dimethyl-Pyrazine, dimethyl-W327107_ALDRICHWHF7883D0VZINC00003183
Cross References
Trusted external identifiers retained for this final record.
Cas
5910-89-4
Herb
HBIN004072
Npass
NPC172522
Tcmid
4056341490
Tcmsp
MOL003058
Sym Map
SMIT05194
Pub Chem
22201
Tcmbank
TCMBANKIN027351
Etcm Ingredient
2,3-DIMETHYLPYRAZINE
Itcmdb Generated
ITX-INGREDIENT-A13E2396A29C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
Mol Wt
108.144
Cas Id
5910-89-4
Smiles
CC1=NC=CN=C1C
Mol Log P
1.09344
Version
v1,v2
In Ch Ikey
OXQOBQJCDNLAPO-UHFFFAOYSA-N
Ob Score
30.81630.8162649930.816265
Suppress
0
Num Hdonors
0
Drug Likeness
0.497
Num Hacceptors
2
Isomeric Smiles
CC1=NC=CN=C1C
Molecule Weight
108.16
Canonical Smiles
CC1=NC=CN=C1C
Herb Alias Names
5910-89-4Pyrazine, 2,3-dimethyl-2,3-Dimethyl-1,4-diazine2,3-Dimethyl-pyrazineFEMA No. 3271Dimethylpyrazine25704-73-8WHF7883D0VPyrazine, dimethyl-
Molecular Weight
108.070
Molecular Weight
108.14
Molecular Formula
C6H8N2
Molecular Formula
C6H8N2
Molecular Formula
C6H8N2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.497