Basic information
- CAS
876897-57-3- Standard SMILES
CCCn1nnnc1NCc1cccc(OC)c1OC- InChIKey
AZFBWBHNWLMKSM-UHFFFAOYSA-N- Molecular formula
- C13H19N5O2
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.15387487
Names & identifiers
- Preferred name
- N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
- IUPAC
- N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
Names & synonyms
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine876897-57-3(2,3-Dimethoxy-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amineN-(2,3-dimethoxybenzyl)-1-propyl-1H-tetrazol-5-amineMLS001208692CHEMBL1722805DTXSID201323451HMS2844O04STK293246AKOS000724131SMR000524910AN-465/42886042
Show more names
N-(2,3-dimethoxybenzyl)-N-(1-propyl-1H-tetraazol-5-yl)amineN-[(2,3-Dimethoxyphenyl)methyl]-1-propyl-1H-tetrazol-5-amine
Database identifiers
- CAS
876897-57-3- PubChem CID
- 4725752
- DTXSID
DTXSID201323451- ChEMBL
CHEMBL1722805
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Solubility27.7 [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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