Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1607
- Core Entity Id
- 4976
- Source Entity Count
- 1
- Preferred Name
- 2-aminoimidazole
- Name En
- Pubchem Id
- 82140
- Smiles Canonical
- C1=CN=C(N1)N
- Molecular Formula
- C3H5N3
- Molecular Weight
- 83.0940
- Inchikey
- DEPDDPLQZYCHOH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
- Isomeric Smiles
- C1=CN=C(N1)N
- Cas Id
- 7720-39-0
- Ob Score
- 90.8990
- Mol Logp
- -0.0081
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Aminoimidazole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Aminoimidazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Aminoimidazole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Aminoimidazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-aminoimidazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-aminoimidazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1H-Imidazol-2-amine
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Imidazol-2-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Imidazol-2-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Imidazol-2-ylamine
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Imidazol-2-ylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Imidazol-2-ylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-amino imidazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino imidazole
Role
alias
Source
HERB_v2
Preferred
No
Name
2-aminoimidazole
Role
alias
Source
TCMBank
Preferred
No
Name
2AI
Role
alias
Source
HERB_v2
Preferred
No
Name
2AI
Role
alias
Source
itcmdb_public
Preferred
No
Name
3mjl
Role
alias
Source
HERB_v2
Preferred
No
Name
3mjl
Role
alias
Source
itcmdb_public
Preferred
No
Name
7720-39-0
Role
alias
Source
HERB_v2
Preferred
No
Name
7720-39-0
Role
alias
Source
TCMBank
Preferred
No
Name
7720-39-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS-045571
Role
alias
Source
TCMBank
Preferred
No
Name
AL-398/25017027
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL291627
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL291627
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 231-751-4
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 231-751-4
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 231-751-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00792530
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00792530
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1H-Imidazol-2-amine1H-Imidazol-2-ylamine2-amino imidazole2AI3mjl7720-39-0AIDS-045571AL-398/25017027CHEMBL291627EINECS 231-751-4InChI=1/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6MFCD00792530
Cross References
Trusted external identifiers retained for this final record.
Cas
7720-39-0
Herb
HBIN005321
Npass
NPC31657
Tcmid
40043
Tcmsp
MOL011652
Sym Map
SMIT12523
Pub Chem
82140
Tcmbank
TCMBANKIN022949
Etcm Ingredient
2-Aminoimidazole
Itcmdb Generated
ITX-INGREDIENT-456D59A6F581
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
Mol Wt
83.09400000000001
Cas Id
7720-39-0
Smiles
C1=CN=C(N1)N
Mol Log P
-0.008100000000000052
Version
v1,v2
In Ch Ikey
DEPDDPLQZYCHOH-UHFFFAOYSA-N
Ob Score
90.89990.89918790.89918723
Suppress
0
Num Hdonors
2
Drug Likeness
0.463
Num Hacceptors
2
Isomeric Smiles
C1=CN=C(N1)N
Molecule Weight
83.11
Canonical Smiles
C1=CN=C(N1)N
Herb Alias Names
1H-Imidazol-2-amine7720-39-01H-Imidazol-2-ylamineMFCD00792530CHEMBL2916273mjl2-amino imidazole2AIEINECS 231-751-4
Molecular Weight
83.050
Molecular Weight
83.09
Molecular Formula
C3H5N3
Molecular Formula
C3H5N3
Molecular Formula
C3H5N3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.444
Quantitative Estimate Of Drug Likeness（Qed）
0.390