A1ASL

(4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine

Created:	2024-05-16
Last modified:	2024-07-31

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1 entries where A1ASL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of A1ASL

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Chemical Component Summary
Name	(4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(2,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
Formula	C₁₄ H₁₅ N₅
Molecular Weight	253.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
SMILES	CACTVS	3.385	Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C
Canonical SMILES	CACTVS	3.385	Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C
InChI	InChI	1.06	InChI=1S/C14H15N5/c1-9-4-5-12(10(2)6-9)17-13-7-11(3)16-14-18-15-8-19(13)14/h4-8,17H,1-3H3
InChIKey	InChI	1.06	GVIZORPSBMMNBL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16013917
ChEMBL	CHEMBL1874417

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