2-Methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene
Basic information
- CAS
10179-83-6- Standard SMILES
CC1=NC=NC2=NN=NC12- InChIKey
ABCIAPZTASSPER-UHFFFAOYSA-N- Molecular formula
- C5H5N5
- Average molar mass
- 135.13 g/mol
- Monoisotopic mass
- 135.05449518
Names & identifiers
- Preferred name
- 2-Methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene
- IUPAC
- 7-methyl-7aH-triazolo[4,5-d]pyrimidine
Names & synonyms
10179-83-62-methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene7-methyl-7aH-triazolo[4,5-d]pyrimidineDTXSID503313567-Methyl-7aH-[1,2,3]triazolo[4,5-d]pyrimidinev-Triazolo[4,5-d]pyrimidine, 7-methyl- (7CI,8CI)
Database identifiers
- CAS
10179-83-6- PubChem CID
- 437669
- DTXSID
DTXSID50331356
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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