1h-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2h)-dithione, 2-(4-nitrophenyl)tetrahydro-
Basic information
- CAS
58745-02-1- Standard SMILES
O=[N+]([O-])c1ccc(-n2c(=S)n3n(c2=S)CCCC3)cc1- InChIKey
QKVMQUWDMABMAH-UHFFFAOYSA-N- Molecular formula
- C12H12N4O2S2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.04016799
Names & identifiers
- Preferred name
- 1h-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2h)-dithione, 2-(4-nitrophenyl)tetrahydro-
- IUPAC
- 2-(4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
Names & synonyms
58745-02-11h-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2h)-dithione, 2-(4-nitrophenyl)tetrahydro-2-(4-nitrophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithioneSCHEMBL11368069DTXSID20207473
Database identifiers
- CAS
58745-02-1- PubChem CID
- 189997
- DTXSID
DTXSID20207473
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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