A1CFS

2-(azetidin-3-yl)-1H-imidazole

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of A1CFS

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Chemical Component Summary
Name	2-(azetidin-3-yl)-1H-imidazole
Systematic Name (OpenEye OEToolkits)	2-(azetidin-3-yl)-1~{H}-imidazole
Formula	C₆ H₉ N₃
Molecular Weight	123.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	n1cc[NH]c1C1CNC1
SMILES	CACTVS	3.385	C1NCC1c2[nH]ccn2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cnc([nH]1)C2CNC2
Canonical SMILES	CACTVS	3.385	C1NCC1c2[nH]ccn2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cnc([nH]1)C2CNC2
InChI	InChI	1.06	InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)
InChIKey	InChI	1.06	FUUJTHNKOCYTDT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	55299196

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