Ethyl 5-Methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate - CAS 427878-70-4
Catalog: |
BB025227 |
Product Name: |
Ethyl 5-Methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
CAS: |
427878-70-4 |
Synonyms: |
5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester; ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
IUPAC Name: | ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
Description: | Ethyl 5-Methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CAS# 427878-70-4) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C10H11N3O3 |
Canonical SMILES: | CCOC(=O)C1=CN2C(=C1C)C(=O)NC=N2 |
InChI: | InChI=1S/C10H11N3O3/c1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14) |
InChI Key: | XCUHVGKOOKXZNK-UHFFFAOYSA-N |
Boiling Point: | 400.913 °C at 760 mmHg |
Density: | 1.417 g/cm3 |
MDL: | MFCD11044884 |
LogP: | 0.50770 |
Publication Number | Title | Priority Date |
US-10654808-B2 | Tyrosine kinase inhibitor and pharmaceutical composition comprising same | 20150407 |
US-2019119217-A1 | Tyrosine kinase inhibitor and pharmaceutical composition comprising same | 20150407 |
WO-2015054358-A1 | Pyrrolotriazine kinase inhibitors | 20131011 |
US-2008171741-A1 | Heterocyclic amide compounds useful as kinase inhibitors | 20061027 |
US-2011160207-A1 | Heterocyclic amide compounds useful as kinase inhibitors | 20061027 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08004122 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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