BWZ

[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

Created:	2017-10-27
Last modified:	2019-02-20

Find Related PDB Entry
1 entries where BWZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	1
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of BWZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Systematic Name (OpenEye OEToolkits)	[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Formula	C₈ H₉ N₆ O
Molecular Weight	205.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2
Canonical SMILES	CACTVS	3.385	[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2
InChI	InChI	1.03	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKey	InChI	1.03	TVSYEZIXGSKLBM-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137332074

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.