5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-
Basic information
- CAS
71647-48-8- Standard SMILES
Cn1c(=O)n2n(c1=O)C1(CCO)CCC2(CCO)CC1- InChIKey
YEHNTVJCYFUEDB-UHFFFAOYSA-N- Molecular formula
- C13H21N3O4
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.15320616
Names & identifiers
- Preferred name
- 5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-
- IUPAC
- 1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
Names & synonyms
71647-48-8NSC345092NSC 3450925,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-DTXSID20221891bis(2-hydroxyethyl)-methyl-[?]dioneNSC-3450925,8-Bis(2-hydroxyethyl)-2-methyltetrahydro-1H-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Database identifiers
- CAS
71647-48-8- PubChem CID
- 335452
- DTXSID
DTXSID20221891
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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