BWT

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

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

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1 entries where BWT is found as a standalone ligand

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

2D diagram of BWT

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Chemical Component Summary
Name	[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
Systematic Name (OpenEye OEToolkits)	[[4-(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)c1ccc(cc1)c2n[nH]nn2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]
Canonical SMILES	CACTVS	3.385	[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]
InChI	InChI	1.03	InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKey	InChI	1.03	CCKNKILAFRZWPA-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137332072

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