1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-3-(1-methylethyl)-

Base Information

• Chemical Name: 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-3-(1-methylethyl)-
• CAS No.: 86870-05-5
• Molecular Formula: C19H17 N5
• Molecular Weight: 315.37
• DSSTox Substance ID: DTXSID70235908
• Wikidata: Q83117823
• Mol file: 86870-05-5.mol

Synonyms:1,2,4-Triazolo(4,3-b)-1,2,4-triazine, 3-isopropyl-6,7-diphenyl-;1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-3-(1-methylethyl)-;86870-05-5;6,7-Diphenyl-3-(1-methylethyl)-1,2,4-triazolo(4,3-b)(1,2,4)triazine;DTXSID70235908;LS-156957

Chemical Property of 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-3-(1-methylethyl)-

Chemical Property:

• PKA: -1.73±0.30(Predicted)
• PSA: 55.97000
• Density: 1.25g/cm³
• LogP: 3.97670
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 315.14839556
• Heavy Atom Count: 24
• Complexity: 403

Purity/Quality:

1,2,4-TRIAZOLO(4,3-B)-1,2,4-TRIAZINE, 3-ISOPROPYL-6,7-DIPHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NN=C2N1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

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