Basic information
- CAS
133638-24-1- Standard SMILES
CN(C)Cc1nnnn1-c1cccc(-n2nnnc2CN(C)C)c1- InChIKey
QIZHMVVUOHXACW-UHFFFAOYSA-N- Molecular formula
- C14H20N10
- Average molar mass
- 328.38 g/mol
- Monoisotopic mass
- 328.18724068
Names & identifiers
- Preferred name
- {1-[3-(5-Dimethylaminomethyl-tetrazol-1-yl)-phenyl]-1H-tetrazol-5-ylmethyl}-dimethyl-amine
- IUPAC
- 1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine
Names & synonyms
133638-24-1MLS000333822CHEMBL1905205DTXSID701324842HMS2806L12STK064787AKOS005388876{1-[3-(5-Dimethylaminomethyl-tetrazol-1-yl)-phenyl]-1H-tetrazol-5-ylmethyl}-dimethyl-amineSMR000440135ST050358[benzene-1,3-diylbis(1H-tetrazole-1,5-diyl)]bis(N,N-dimethylmethanamine)1,1'-(1,1'-(1,3-phenylene)bis(1H-tetrazole-5,1-diyl))bis(N,N-dimethylmethanamine)
Show more names
N,N'-[1,3-phenylenebis(1H-tetrazole-1,5-diylmethylene)]bis(N-methylmethanamine)N,N'-{1,3-Phenylenebis[(1H-tetrazole-1,5-diyl)methylene]}bis(N-methylmethanamine){[1-(3-{5-[(dimethylamino)methyl](1,2,3,4-tetraazolyl)}phenyl)(1,2,3,4-tetraaz ol-5-yl)]methyl}dimethylamine1-[1-[3-[5-[(dimethylamino)methyl]tetrazol-1-yl]phenyl]tetrazol-5-yl]-N,N-dimethylmethanamine
Database identifiers
- CAS
133638-24-1- PubChem CID
- 3620004
- DTXSID
DTXSID701324842- ChEMBL
CHEMBL1905205
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility27.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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