(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
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Basic information
- CAS
168152-70-3- Standard SMILES
CCCc1nc2ncnn2c(N(CC)CC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
AQPXLAPRURJICX-UHFFFAOYSA-N- Molecular formula
- C26H29N9
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.25459196
Names & identifiers
- Preferred name
- (1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
- IUPAC
- N,N-diethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- English name
- N,N-diethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]- 1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-amine
- Molecular formula
- C26H29N9
- Molecular weight
- 467.57
Names & synonyms
168152-70-3(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-DTXSID70168505RefChem:204196DTXCID2090996N,N-diethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amineSCHEMBL9254595N,N-Diethyl-5-propyl-6-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-amines-triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4- yl)methyl)-[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, N,N-diethyl-5-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-N,N-diethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]- 1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-amine
Database identifiers
- CAS
168152-70-3- PubChem CID
- 3074907
- DTXSID
DTXSID70168505
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 638
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