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: 10Ingredient: 1Meta-analysis: 3Target: 2Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11915
- Core Entity Id
- 16410
- Source Entity Count
- 1
- Preferred Name
- Azole
- Name En
- Pubchem Id
- 8027
- Smiles Canonical
- C1=CNC=C1
- Molecular Formula
- C4H5N
- Molecular Weight
- 67.0910
- Inchikey
- KAESVJOAVNADME-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
- Isomeric Smiles
- C1=CNC=C1
- Cas Id
- 21995-14-2
- Ob Score
- 27.7517
- Mol Logp
- 1.0147
- Num H Donors
- 1
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Azole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Azole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Azole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Azole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Azole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Aza-2,4-cyclopentadiene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Aza-2,4-cyclopentadiene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Aza-2,4-cyclopentadiene
Role
alias
Source
TCMBank
Preferred
No
Name
109-97-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
109-97-7
Role
alias
Source
HERB_v2
Preferred
No
Name
109-97-7
Role
alias
Source
TCMBank
Preferred
No
Name
131709_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrrole
Role
alias
Source
TCMBank
Preferred
No
Name
1H-Pyrrole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Pyrrole, homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
21995-14-2
Role
alias
Source
TCMBank
Preferred
No
Name
30604-81-0
Role
alias
Source
TCMBank
Preferred
No
Name
45361-50-0
Role
alias
Source
TCMBank
Preferred
No
Name
530573_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
83220_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-18817
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2933
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:19203
Role
alias
Source
TCMBank
Preferred
No
Name
Divinyleneimine
Role
alias
Source
HERB_v2
Preferred
No
Name
Divinyleneimine
Role
alias
Source
TCMBank
Preferred
No
Name
Divinyleneimine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Divinylenimine
Role
alias
Source
TCMBank
Preferred
No
Name
Divinylenimine
Role
alias
Source
HERB_v2
Preferred
No
Name
Divinylenimine
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 203-724-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 240-327-8
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3386
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 119
Role
alias
Source
TCMBank
Preferred
No
Name
Imidole
Role
alias
Source
HERB_v2
Preferred
No
Name
Imidole
Role
alias
Source
TCMBank
Preferred
No
Name
Imidole
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C4H5N/c1-2-4-5-3-1/h1-5
Role
alias
Source
TCMBank
Preferred
No
Name
Monopyrrole
Role
alias
Source
HERB_v2
Preferred
No
Name
Monopyrrole
Role
alias
Source
TCMBank
Preferred
No
Name
Monopyrrole
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC62777
Role
alias
Source
TCMBank
Preferred
No
Name
NSC72470
Role
alias
Source
TCMBank
Preferred
No
Name
PYROLLE
Role
alias
Source
TCMBank
Preferred
No
Name
PYRROLE
Role
alias
Source
HERB_v2
Preferred
No
Name
PYRROLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrol
Role
alias
Source
TCMBank
Preferred
No
Name
Pyrrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrole
Role
alias
Source
TCMBank
Preferred
No
Name
W338605_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T5MJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01691362
Role
alias
Source
TCMBank
Preferred
No
Name
c0879
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Aza-2,4-cyclopentadiene109-97-7131709_ALDRICH1H-Pyrrole1H-Pyrrole, homopolymer21995-14-230604-81-045361-50-0530573_ALDRICH83220_FLUKAAI3-18817CCRIS 2933CHEBI:19203DivinyleneimineDivinylenimineEINECS 203-724-7EINECS 240-327-8FEMA No. 3386HSDB 119ImidoleInChI=1/C4H5N/c1-2-4-5-3-1/h1-5MonopyrroleNSC62777NSC72470PYROLLEPYRROLEPyrrolW338605_ALDRICHWLN: T5MJZINC01691362c0879
Cross References
Trusted external identifiers retained for this final record.
Cas
21995-14-2
Herb
HBIN017457HBIN041414
Npass
NPC196580
Tcmid
32633
Tcmsp
MOL007587
Sym Map
SMIT08996
Pub Chem
8027
Tcmbank
TCMBANKIN058437
Etcm Ingredient
Azole
Itcmdb Generated
ITX-INGREDIENT-FD24193B021E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
Mol Wt
67.091
Cas Id
21995-14-2
Smiles
C1=CNC=C1
Mol Log P
1.0147
Version
v1,v2
In Ch Ikey
KAESVJOAVNADME-UHFFFAOYSA-N
Ob Score
27.75172627.7517260727.752
Suppress
0
Num Hdonors
1
Drug Likeness
0.466
Num Hacceptors
0
Isomeric Smiles
C1=CNC=C1
Molecule Weight
67.1
Canonical Smiles
C1=CNC=C1
Herb Alias Names
PYRROLE1H-Pyrrole109-97-7DivinylenimineImidolePyrrolMonopyrroleDivinyleneimine1-Aza-2,4-cyclopentadiene
Molecular Weight
67.040
Molecular Weight
67.09 g/mol
Molecular Formula
C4H5N
Molecular Formula
C4H5N
Molecular Formula
C4H5N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.466