BXE

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

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

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1 entries where BXE is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	5

2D diagram of BXE

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Chemical Component Summary
Name	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
Systematic Name (OpenEye OEToolkits)	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
Formula	C₄ H₉ N₆ O
Molecular Weight	157.154
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[NH3+]NC(=O)CCc1n[nH]nn1
SMILES	OpenEye OEToolkits	2.0.6	C(CC(=O)N[NH3+])c1n[nH]nn1
Canonical SMILES	CACTVS	3.385	[NH3+]NC(=O)CCc1n[nH]nn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C(CC(=O)N[NH3+])c1n[nH]nn1
InChI	InChI	1.03	InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1
InChIKey	InChI	1.03	YTOFZWXGVLOWNC-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137333960

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