1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 3-(methoxyphenyl)-7-phenyl-
Basic information
- CAS
86869-92-3- Standard SMILES
COCc1nnc2nc(-c3ccccc3)cnn12- InChIKey
XLFAEOISSVJMES-UHFFFAOYSA-N- Molecular formula
- C12H11N5O
- Average molar mass
- 241.25 g/mol
- Monoisotopic mass
- 241.09635999
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 3-(methoxyphenyl)-7-phenyl-
- IUPAC
- 3-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
- English name
- 9-(methoxymethyl)-4-phenyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6,8 -tetraene
- Molecular formula
- C12H11N5O
- Molecular weight
- 241.25
Names & synonyms
86869-92-31,2,4-Triazolo(4,3-b)(1,2,4)triazine, 3-(methoxyphenyl)-7-phenyl-3-(Methoxyphenyl)-7-phenyl-1,2,4-triazolo(4,3-b)(1,2,4)triazineDTXSID60235896RefChem:215216DTXCID901583873-(Methoxymethyl)-7-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine1,2,4-Triazolo[4,3-b][1,2,4]triazine, 3-(methoxymethyl)-7-phenyl-9-(methoxymethyl)-4-phenyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6,8 -tetraene
Database identifiers
- CAS
86869-92-3- PubChem CID
- 3070752
- DTXSID
DTXSID60235896
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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