Basic information
- CAS
41094-88-6- Standard SMILES
CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC- InChIKey
PCTRYMLLRKWXGF-UHFFFAOYSA-N- Molecular formula
- C16H24N4O2
- Average molar mass
- 304.39 g/mol
- Monoisotopic mass
- 304.18992602
Overview
4-(butylamino)-1-ethyl-6-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester is a pyrazolopyridine.
Names & identifiers
- Preferred name
- Tracazolate
- IUPAC
- ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
- English name
- 4-(Butylamino)-1-ethyl-6-methyl 1H-pyrazolo[3,4b]pyridine-5-ethylcarboxylate hydrochloride
- Molecular formula
- C16H24N4O2
- Molecular weight
- 304.39
Names & synonyms
Tracazolate41094-88-6TracazolatumTracazolatoICI-136753ICI 136,753ICI-136,753NH0HPL3U1Tethyl 4-(butylamino)-1-ethyl-6-methyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylateICI 136753DTXSID3046956Ethyl 4-(butylamino)-1-ethyl-6-methyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylate
Show more names
TracazolateHClTRACAZOLATE HYDROCHLORIDETRACAZOLATE NON-BENZODIAZEPINE AN1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-(butylamino)-1-ethyl-6-methyl-, ethyl ester
RefChem:933237DTXCID10269564-butylamine-1-ethyl-6-methyl-pyrazolo(3,4)pyridine-5-carboxylic acid ethyl ester255-214-9ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate1H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid, 4-(butylamino)-1-ethyl-6-methyl-, ethyl ester4-(Butylamino)-1-ethyl-6-methyl 1H-pyrazolo[3,4b]pyridine-5-ethylcarboxylate hydrochlorideNCGC00015985-03
Database identifiers
- CAS
41094-88-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 73.5 · 73.5-75 °C
- Boiling point
- 419.5 · 419.5±40.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- solubility
- 0.1 M · 0.1 M HCl: soluble
- form
- solid
- pka
- 5.01 · 5.01±0.10(Predicted)
- color
- white
- FDA UNII
- 0 HPL3U1T · NH0HPL3U1T
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesTracazolate Hydrochloride is a useful intermediate and pharmacological compound.
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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