7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

Base Information

• Chemical Name: 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
• CAS No.: 151327-13-8
• Molecular Formula: C22H20 N8 O
• Molecular Weight: 412.45
• DSSTox Substance ID: DTXSID20934232
• Wikidata: Q82910086
• Mol file: 151327-13-8.mol

Synonyms:151327-13-8;7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one;(1,2,4)Triazolo(4,3-a)pyrimidin-5-ol, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-;7-Propyl-6-((2/'-(1H-tetrazol-5-yl)(1,1/'-biphenyl)-4-yl)methyl)-s-triazolo(4,3-a)pyrimidin-5-ol;SCHEMBL7318558;DTXSID20934232;ONQSJAULSZBAGS-UHFFFAOYSA-N;LS-156819;7-Propyl-6-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one

Chemical Property of 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

Chemical Property:

• Boiling Point: 647.9°Cat760mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 345.7°C
• PSA: 117.51000
• Density: 1.45g/cm³
• LogP: 2.80800
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 412.17600729
• Heavy Atom Count: 31
• Complexity: 770

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=O)N2C=NNC2=N1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5