4-Amino-3,6-dihydroxy-1H-pyrazolo[3,4-d]pyrimidine
AlkaPlorer ID: AK077496
Synonym: 4-Amino-1H-pyrazolo[3,4-d]pyrimidine-3,6(2H,5H)-dione, Hydroxyakalone
IUPAC Name: 4-amino-2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,6-dione
Structure
SMILES: NC1=NC(O)=NC2=C1C(O)=NN2
InChI: InChI=1S/C5H5N5O2/c6-2-1-3(8-5(12)7-2)9-10-4(1)11/h(H5,6,7,8,9,10,11,12)
InChIKey: KHPWHSXHIVVNRI-UHFFFAOYSA-N
Reference
PubChem CID: 10176295
CAS: 182056-35-5
LOTUS: LTS0223916
COCONUT: CNP0190450
{NPAtlas: NPA010862
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agrobacterium aurantiacum | Agrobacterium | Rhizobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 167.128
TPSA？: 120.94
MolLogP？: -0.6537000000000002
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|