2-Methyl-6-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
Basic information
- CAS
41082-63-7- Standard SMILES
Cn1c(=O)[nH]n(C2Cn3c(=O)n(C)c(=O)n3-c3ccccc32)c1=O- InChIKey
DDEZJLDMCFBNFP-UHFFFAOYSA-N- Molecular formula
- C14H14N6O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.10765295
Names & identifiers
- Preferred name
- 2-Methyl-6-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
- IUPAC
- 2-methyl-6-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
Names & synonyms
NSC69261841082-63-72-Methyl-6-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-5,6-dihydro-1H-[1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dioneNSC3457432-methyl-6-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-5,6-dihydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dioneDTXSID90319471NSC-345743NSC-692618
Database identifiers
- CAS
41082-63-7- PubChem CID
- 335591
- DTXSID
DTXSID90319471
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 639
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Compound notes
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