1,2,4,5-Tetrazin-3-amine, 6-(3,5-dimethyl-1H-pyrazol-1-yl)-
Basic information
- CAS
139047-73-7- Standard SMILES
Cc1cc(C)n(-c2nnc(N)nn2)n1- InChIKey
JXJYVOAONGQISS-UHFFFAOYSA-N- Molecular formula
- C7H9N7
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.09194332
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrazin-3-amine, 6-(3,5-dimethyl-1H-pyrazol-1-yl)-
- IUPAC
- 6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
Names & synonyms
139047-73-71,2,4,5-Tetrazin-3-amine, 6-(3,5-dimethyl-1H-pyrazol-1-yl)-DTXSID20351369RefChem:214836DTXCID003024356-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine6-(3,5-dimethylpyrazolyl)-1,2,4,5-tetraazine-3-ylamine6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amineSCHEMBL3780684SBB000298STK694439AKOS005152003
Show more names
ST024300CS-0337463AG-227/372870163-amino-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-amine
Database identifiers
- CAS
139047-73-7- PubChem CID
- 698500
- DTXSID
DTXSID20351369- Nikkaji
- J454.457I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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