Basic information
- CAS
86869-91-2- Standard SMILES
Cc1nnc2nc(-c3cccc(Cl)c3)cnn12- InChIKey
FDDLYTTVKMLUAZ-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5
- Average molar mass
- 245.67 g/mol
- Monoisotopic mass
- 245.046823
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(3-chlorophenyl)-3-methyl-
- IUPAC
- 7-(3-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
- English name
- 4-(3-chlorophenyl)-9-methyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6, 8-tetraene
- Molecular formula
- C11H8ClN5
- Molecular weight
- 245.67
Names & synonyms
86869-91-21,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(3-chlorophenyl)-3-methyl-7-(3-Chlorophenyl)-3-methyl-1,2,4-triazolo(4,3-b)(1,2,4)triazineDTXSID00235895RefChem:215236DTXCID301583867-(3-Chlorophenyl)-3-methyl[1,2,4]triazolo[4,3-b][1,2,4]triazine1,2,4-Triazolo[4,3-b][1,2,4]triazine, 7-(3-chlorophenyl)-3-methyl-4-(3-chlorophenyl)-9-methyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-2,4,6, 8-tetraene
Database identifiers
- CAS
86869-91-2- PubChem CID
- 3070751
- DTXSID
DTXSID00235895
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -1.72 · -1.72±0.30(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…