6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-(1,2,4)triazolo(1,2-a)cinnoline-1,3(2H)-dione
Basic information
- CAS
65812-73-9- Standard SMILES
CC1(n2[nH]c(=O)n(-c3ccccc3)c2=O)Cn2c(=O)n(-c3ccccc3)c(=O)n2-c2ccccc21- InChIKey
CVCBYOOQZZRRBL-UHFFFAOYSA-N- Molecular formula
- C25H20N6O4
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.15460314
Names & identifiers
- Preferred name
- 6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-(1,2,4)triazolo(1,2-a)cinnoline-1,3(2H)-dione
- IUPAC
- 6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
Names & synonyms
65812-73-9NSC345744NSC 3457446-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-(1,2,4)triazolo(1,2-a)cinnoline-1,3(2H)-dione6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dioneCVCBYOOQZZRRBL-UHFFFAOYSA-NNSC-3457446-(3,5-Dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl- 5,6-dihydro-1H-[1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione6-(3,5-Dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-5,6-dihydro-1H-[1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione #
Database identifiers
- CAS
65812-73-9- PubChem CID
- 335592
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 916
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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