MeFSAT
Me
dicinal
F
ungi
S
econdary metabolites
A
nd
T
herapeutics
Home
Basic search
Advanced search
Statistics
Acknowledgement
Download
Help
Secondary metabolite: 2-Azahypoxanthine
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C4H3N5O
SMILES:
O=c1[nH]nnc2c1[nH]cn2
InChI:
InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKey:
BTERLCQQBYXVIN-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1[nH]nnc2nc[nH]c12
Scaffold Graph/Node level:
OC1NNNC2NCNC12
Scaffold Graph level:
CC1CCCC2CCCC12
Chemical classification
Kingdom:
Organic compounds
Super class:
Organoheterocyclic compounds
Class:
Triazines
Sub class:
Aminotriazines
Synonymous chemical names:
2-azahypoxanthine
External chemical identifiers:
CID_135421876
;
CAS_4656-86-4
;
NPATLAS_NPA018575
;
CHEMSPIDER_10446463
;
ZINC_ZINC000001590017
;
Molport_MolPort-029-216-269
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP