Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 747
- Core Entity Id
- 4023
- Source Entity Count
- 1
- Preferred Name
- 2-cyano-acetamide
- Name En
- Pubchem Id
- 7898
- Smiles Canonical
- C(C#N)C(=O)N
- Molecular Formula
- C3H4N2O
- Molecular Weight
- 84.0780
- Inchikey
- DGJMPUGMZIKDRO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
- Isomeric Smiles
- C(C#N)C(=O)N
- Cas Id
- Ob Score
- Mol Logp
- -0.6146
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Cyano- Acetamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Cyano- Acetamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-cyano- acetamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-cyano-acetamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-cyano-acetamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-cyanoacetamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
107-91-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
107-91-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyanoacetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyanoacetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Nitrilo-propionamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Nitrilo-propionamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetamide, 2-cyano-
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetamide, 2-cyano-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CYANOACETAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
CYANOACETAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyanacetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyanacetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyanoiminoacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyanoiminoacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Malonamide nitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Malonamide nitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Malonamonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Malonamonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nitrilomalonamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Nitrilomalonamide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Cyano- Acetamide2-cyanoacetamide107-91-53-Nitrilo-propionamideAcetamide, 2-cyano-CYANOACETAMIDECyanacetamideCyanoiminoacetic acidMalonamide nitrileMalonamonitrileNitrilomalonamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005476
Npass
NPC61558
Tcmid
35144
Sym Map
SMIT20611
Pub Chem
7898
Tcmbank
TCMBANKIN014706
Etcm Ingredient
2-cyanoacetamide
Itcmdb Generated
ITX-INGREDIENT-41C75E91F485ITX-INGREDIENT-82251D8E68E3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Mol Wt
84.078
Smiles
C(C#N)C(=O)N
Mol Log P
-0.6146199999999999
Version
v2
In Ch Ikey
DGJMPUGMZIKDRO-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.46
Num Hacceptors
2
Isomeric Smiles
C(C#N)C(=O)N
Canonical Smiles
C(C#N)C(=O)N
Herb Alias Names
2-Cyanoacetamide107-91-5CYANOACETAMIDEAcetamide, 2-cyano-CyanacetamideMalonamide nitrileMalonamonitrileNitrilomalonamideCyanoiminoacetic acid3-Nitrilo-propionamide
Molecular Weight
84.030
Molecular Weight
84.08 g/mol
Molecular Formula
C3H4N2O
Molecular Formula
C3H4N2O
Molecular Formula
C3H4N2O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.460