A1AM1

N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide

Created:	2024-04-15
Last modified:	2024-04-24

Find Related PDB Entry
3 entries where A1AM1 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	5

2D diagram of A1AM1

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
Formula	C₁₀ H₁₆ N₄ O
Molecular Weight	208.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCC(=O)NCc1nnc2CCCCn12
SMILES	CACTVS	3.385	CCC(=O)NCc1nnc2CCCCn12
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)NCc1nnc2n1CCCC2
Canonical SMILES	CACTVS	3.385	CCC(=O)NCc1nnc2CCCCn12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)NCc1nnc2n1CCCC2
InChI	InChI	1.06	InChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15)
InChIKey	InChI	1.06	IOOTXFHTMOUUHM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47228579

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.