A1BE6

(8R)-2-methyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

Created:2024-11-04
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count5
2D diagram of A1BE6

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Chemical Component Summary

Name(8R)-2-methyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Systematic Name (OpenEye OEToolkits)2-methyl-5-propan-2-yl-4~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
FormulaC9 H12 N4 O
Molecular Weight192.218
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(C)C1=CC(=O)n2nc(C)nc2N1
SMILESCACTVS3.385CC(C)C1=CC(=O)n2nc(C)nc2N1
SMILESOpenEye OEToolkits3.1.0.0Cc1nc2n(n1)C(=O)C=C(N2)C(C)C
Canonical SMILESCACTVS3.385 CC(C)C1=CC(=O)n2nc(C)nc2N1
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1nc2n(n1)C(=O)C=C(N2)C(C)C
InChIInChI1.06 InChI=1S/C9H12N4O/c1-5(2)7-4-8(14)13-9(11-7)10-6(3)12-13/h4-5H,1-3H3,(H,10,11,12)
InChIKeyInChI1.06 ZRLXWRPBRRVUPP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16448740