5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
Basic information
- CAS
56881-42-6- Standard SMILES
Cc1cc2nncn2c2nnnn12- InChIKey
PSFKTNOGBFBODE-UHFFFAOYSA-N- Molecular formula
- C6H5N7
- Average molar mass
- 175.15 g/mol
- Monoisotopic mass
- 175.06064319
Names & identifiers
- Preferred name
- 5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
- IUPAC
- 7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
Names & synonyms
56881-42-66XRU9I5FJIUNII-6XRU9I5FJI5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidineNSC 349634NSC-349634DTXSID502054075-Methyltetraazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINETETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDINE, 5-METHYL-5-Methyltetrazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidineRefChem:103219
Show more names
DTXCID10127898NSC349634PSFKTNOGBFBODE-UHFFFAOYSA-N9-Methyl-s-triazolo[4,3-c]tetrazolo[1,5-a]pyrimidine5-methyl-[1,2,4]triazolo[[?]]tetrazolo[[?]]pyrimidine5-Methyltetraazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine #
Database identifiers
- CAS
56881-42-6- PubChem CID
- 336207
- DTXSID
DTXSID50205407- UNII
- 6XRU9I5FJI
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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