Chemical Component Summary

NameN~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine
IdentifiersN3-phenyl-1-(6-phenylazanylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine
FormulaC18 H16 N8
Molecular Weight344.373
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N
InChIInChI=1S/C18H16N8/c19-17-24-18(23-14-9-5-2-6-10-14)25-26(17)16-11-15(20-12-21-16)22-13-7-3-1-4-8-13/h1-12H,(H,20,21,22)(H3,19,23,24,25)
InChIKeyPYFLNUFSEAXOHE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 58976958