Basic information
- CAS
56383-05-2- Standard SMILES
Cc1cc(N2CCCCC2)nn2cnnc12- InChIKey
YYHWOTFWBVRTQD-UHFFFAOYSA-N- Molecular formula
- C11H15N5
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.1327455
Overview
Zindotrine is a small molecule drug. Zindotrine has a monoisotopic molecular weight of 217.13 Da.
Names & identifiers
- Preferred name
- Zindotrine
- IUPAC
- 8-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
- English name
- Zindotrine
- Molecular formula
- C11H15N5
- Molecular weight
- 217.27
Names & synonyms
ZINDOTRINE56383-05-2ZindotrinaZindotrinumMDL 257MDL-257VQM3328PO0DTXSID90204939RefChem:934535DTXCID701274308-methyl-6-piperidino-s-triazolo (4,3-b)Pyridazine8-methyl-6-(1-piperidinyl)-1,2,4-triazolo(4,3-b)pyridazine
Show more names
8-methyl-6-piperidino-[1,2,4]triazolo[3,4-f]pyridazine8-methyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazine1,2,4-Triazolo[4,3-b]pyridazine, 8-methyl-6-(1-piperidinyl)-
8-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine1,2,4-Triazolo(4,3-b)pyridazine, 8-methyl-6-(1-piperidinyl)-Zindotrinum [Latin]Zindotrina [Spanish]Zindotrine [USAN:INN]UNII-VQM3328PO0ZINDOTRINE [INN]Zindotrine (USAN/INN)
Database identifiers
- CAS
56383-05-2- PubChem CID
- 41856
- DTXSID
DTXSID90204939- ChEMBL
CHEMBL2105494- UNII
- VQM3328PO0
- Nikkaji
- J2.379.106D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 4.8 · 4.80±0.30(Predicted)
- FDA UNII
- 3328 PO0 · VQM3328PO0
Chemistry & industry
Applications
UsesBronchodilator.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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