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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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count28
Aromatic Bond Count10
2D diagram of A1A3Q

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Chemical Component Summary

NameN-{(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
FormulaC10 H12 N4 O
Molecular Weight204.228
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(=O)NC(C)c1nnc2ccccn21
SMILESCACTVS3.385C[CH](NC(C)=O)c1nnc2ccccn12
SMILESOpenEye OEToolkits3.1.0.0CC(c1nnc2n1cccc2)NC(=O)C
Canonical SMILESCACTVS3.385 C[C@H](NC(C)=O)c1nnc2ccccn12
Canonical SMILESOpenEye OEToolkits3.1.0.0 C[C@@H](c1nnc2n1cccc2)NC(=O)C
InChIInChI1.06 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
InChIKeyInChI1.06 VMFJFKMORNSDKQ-ZETCQYMHSA-N

Related Resource References

Resource NameReference
PubChem 40042436