(1,2,4)Triazolo(1,5-a)pyrimidine, 5-azido-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-

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Basic information

CAS: 168152-71-4
Standard SMILES: CCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(N=[N+]=[N-])nc2ncnn12
InChIKey: MOQMXJIXZFAHMO-UHFFFAOYSA-N
Molecular formula: C22H19N11
Average molar mass: 437.5 g/mol
Monoisotopic mass: 437.18248965

Names & identifiers

Preferred name: (1,2,4)Triazolo(1,5-a)pyrimidine, 5-azido-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
IUPAC: 5-azido-7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
English name: 4-azido-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5, 7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
Molecular formula: C22H19N11
Molecular weight: 0

Names & synonyms

168152-71-4(1,2,4)Triazolo(1,5-a)pyrimidine, 5-azido-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-DTXSID30168506RefChem:204202DTXCID70909975-azido-7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine4-azido-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5, 7,9-tetrazabicyclo[4.3.0]nona5-Azido-7-propyl-6-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidines-triazolo(1,5-a)pyrimidine, 5-azido-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-4-azido-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5, 7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene

Database identifiers

CAS: 168152-71-4
PubChem CID: 3074908
DTXSID: DTXSID30168506

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 112 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 677

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