3-Amino-1-(2-Aminoimidazoyl)-Prop-1-Ene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL240306 | |
| PubChem: | 10820593 | |
| IUPAC: | 5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-amine | |
| Standard InChI: | InChI=1S/C6H10N4/c7-3-1-2-5-4-9-6(8)10-5/h1-2,4H,3,7H2,(H3,8,9,10)/b2-1+ | |
| Standard InChI Key: | YFJXNGUQXKFQAO-OWOJBTEDSA-N | |
| SMILES: | NC/C=C/c1c[nH]c(=N)[nH]1 | |
Molecular propeties
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| AlogP: | -0.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 138.09 | |
| Topological polar surface area: | 80.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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