2-Ethyl-5-propyl-6-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)(1,2,4)triazolo(1,5-a)pyrimidin-7(1H)-one

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Basic information

CAS: 168152-69-0
Standard SMILES: CCCc1nc2nc(CC)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIKey: NPHGXKIEIPZVQH-UHFFFAOYSA-N
Molecular formula: C24H24N8O
Average molar mass: 440.5 g/mol
Monoisotopic mass: 440.20730742

Names & identifiers

Preferred name: 2-Ethyl-5-propyl-6-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)(1,2,4)triazolo(1,5-a)pyrimidin-7(1H)-one
IUPAC: 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
English name: 8-ethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5, 7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one
Molecular formula: C24H24N8O
Molecular weight: 440.5

Names & synonyms

DTXSID709374552-Ethyl-5-propyl-6-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)(1,2,4)triazolo(1,5-a)pyrimidin-7(1H)-one2-Ethyl-5-propyl-6-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-oneRefChem:1063071DTXCID101366018168152-69-0(1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 2-ethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-SCHEMBL9258470s-triazolo(1,5-a)pyrimidin-7-ol, 2-ethyl-5-propyl-6- ((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 2-ethyl-5-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-8-ethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5, 7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one

Database identifiers

CAS: 168152-69-0
PubChem CID: 3074906
DTXSID: DTXSID70937455

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 828

Physicochemical properties

Density: 1.39 · 1.39±0.1 g/cm3(Predicted)
pka: 1.07 · 1.07±0.53(Predicted)

Related reactions

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Compound notes

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