Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67912
- Core Entity Id
- 130561
- Source Entity Count
- 1
- Preferred Name
- 3,6-Dimethylpiperazine-2,5-dione
- Name En
- Pubchem Id
- 97704
- Smiles Canonical
- CC1C(=O)NC(C(=O)N1)C
- Molecular Formula
- C6H10N2O2
- Molecular Weight
- 142.0700
- Inchikey
- WWISPHBAYBECQZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 58.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,6-Dimethylpiperazine-2,5-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,6-Dimethylpiperazine-2,5-dione
Itcmdb Generated
ITX-INGREDIENT-8462CFCC6BAE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
142.070
Molecular Formula
C6H10N2O2
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.456