QAY

8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

Created:2015-12-03
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count11
2D diagram of QAY

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Chemical Component Summary

Name8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
FormulaC12 H12 N6 O
Molecular Weight256.263
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23
SMILESOpenEye OEToolkits1.7.6c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN
Canonical SMILESCACTVS3.385 NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23
Canonical SMILESOpenEye OEToolkits1.7.6 c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN
InChIInChI1.03 InChI=1S/C12H12N6O/c13-3-1-8-5-17-18(6-8)11-10-9(2-4-14-11)12(19)16-7-15-10/h2,4-7H,1,3,13H2,(H,15,16,19)
InChIKeyInChI1.03 YNSLRVQPGFUMPO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135567127, 112499949