A1A3Q

N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide

Created:	2024-08-29
Last modified:	2024-11-06

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1 entries where A1A3Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	10

2D diagram of A1A3Q

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Chemical Component Summary
Name	N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamide
Formula	C₁₀ H₁₂ N₄ O
Molecular Weight	204.228
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(=O)NC(C)c1nnc2ccccn21
SMILES	CACTVS	3.385	C[CH](NC(C)=O)c1nnc2ccccn12
SMILES	OpenEye OEToolkits	3.1.0.0	CC(c1nnc2n1cccc2)NC(=O)C
Canonical SMILES	CACTVS	3.385	C[C@H](NC(C)=O)c1nnc2ccccn12
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@@H](c1nnc2n1cccc2)NC(=O)C
InChI	InChI	1.06	InChI=1S/C10H12N4O/c1-7(11-8(2)15)10-13-12-9-5-3-4-6-14(9)10/h3-7H,1-2H3,(H,11,15)/t7-/m0/s1
InChIKey	InChI	1.06	VMFJFKMORNSDKQ-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	40042436

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