4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidine-4-thione, 1,8-dihydro-8-(4-methoxyphenyl)-
Basic information
- CAS
141300-36-9- Standard SMILES
COc1ccc(-n2cnn3c(=S)c4cn[nH]c4nc23)cc1- InChIKey
QMKLTYOWSWWWPN-UHFFFAOYSA-N- Molecular formula
- C13H10N6OS
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.06368014
Names & identifiers
- Preferred name
- 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidine-4-thione, 1,8-dihydro-8-(4-methoxyphenyl)-
- IUPAC
- 10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione
Names & synonyms
BRN 48813604H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidine-4-thione, 1,8-dihydro-8-(4-methoxyphenyl)-141300-36-91,8-Dihydro-8-(4-methoxyphenyl)-4H-pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidine-4-thioneDTXSID90161679RefChem:297708DTXCID70841708-(4-Methoxyphenyl)-1,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-4-thione
Database identifiers
- CAS
141300-36-9- PubChem CID
- 3072263
- DTXSID
DTXSID90161679- Nikkaji
- J475.946J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…