2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 1232815-49-4
Catalog: |
BB005652 |
Product Name: |
2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
CAS: |
1232815-49-4 |
Synonyms: |
2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
IUPAC Name: | 2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
Description: | 2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 1232815-49-4 ) is a useful research chemical. |
Molecular Weight: | 167.186 |
Molecular Formula: | C6H5N3OS |
Canonical SMILES: | C1=CN2C(=C1)C(=O)NC(=S)N2 |
InChI: | InChI=1S/C6H5N3OS/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11) |
InChI Key: | LJVGPQVQNTZJLD-UHFFFAOYSA-N |
LogP: | 1.09750 |
Publication Number | Title | Priority Date |
CN-111018860-A | Pyrrolotriazines and application thereof | 20181010 |
WO-2020073749-A1 | Pyrrolotriazine compound and uses thereof | 20181010 |
CA-3078942-A1 | Pyrrolotriazine compounds and methods of inhibiting tam kinases | 20171010 |
WO-2019074962-A1 | PYRROLOTRIAZINE COMPOUNDS AND METHODS FOR INHIBITING TAM KINASES | 20171010 |
EP-3694860-A1 | Pyrrolotriazine compounds and methods of inhibiting tam kinases | 20171010 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.01533297 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.01533297 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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