5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate

Base Information

• Chemical Name: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate
• CAS No.: 135445-98-6
• Molecular Formula: C20H16 N6 O
• Molecular Weight: 356.3806
• DSSTox Substance ID: DTXSID30159373
• Wikidata: Q83027688
• Mol file: 135445-98-6.mol

Synonyms:5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate;6,9-Dihydro-3-phenyl-9-methyl-6-benzyl-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate;9-Methyl-3-phenyl-6-(phenylmethyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate;135445-98-6;SCHEMBL9030681;C20H16N6O.H2O;DTXSID30159373;C20-H16-N6-O.H2-O;LS-156658

Chemical Property of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate

Chemical Property:

• Vapor Pressure: 7.73E-21mmHg at 25°C
• Boiling Point: 724.4°Cat760mmHg
• Flash Point: 391.9°C
• Density: 1.39g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 356.13855916
• Heavy Atom Count: 27
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C3=NN=C(N3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5