Sulfuric acid--2-methyl-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 (1/2)
Basic information
- CAS
151733-55-0- Standard SMILES
CCCc1nc2nc(C)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc2nc(C)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.O=S(=O)(O)O- InChIKey
ONCZRCHEISNQJI-UHFFFAOYSA-N- Molecular formula
- C46H46N16O6S
- Average molar mass
- 951 g/mol
- Monoisotopic mass
- 950.35069442
Names & identifiers
- Preferred name
- Sulfuric acid--2-methyl-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 (1/2)
- IUPAC
- bis(2-methyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);sulfuric acid
- English name
- s-triazolo(1,5-a)pyrimidin-7-ol, 2-methyl-5-propyl-6-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-, sulfate
- Molecular weight
- 0
Names & synonyms
151733-55-0DTXSID80934339Sulfuric acid--2-methyl-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 (1/2)Sulfuric acid--2-methyl-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 (1/2)RefChem:1099265DTXCID901362991(1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 2-methyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, sulfate (2:1) (salt)2-methyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;sulfuric acids-triazolo(1,5-a)pyrimidin-7-ol, 2-methyl-5-propyl-6-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-, sulfate
Database identifiers
- CAS
151733-55-0- PubChem CID
- 3073722
- DTXSID
DTXSID80934339
Properties
Computed structural properties
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 894
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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