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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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count16
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
FormulaC14 H15 N5
Molecular Weight253.302
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
SMILESCACTVS3.385Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C
Canonical SMILESCACTVS3.385 Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C
InChIInChI1.06 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
InChIKeyInChI1.06 GVIZORPSBMMNBL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16013917
ChEMBL CHEMBL1874417