6-bromo-2-sulfanylidene-1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 1233179-29-7
Catalog: |
BB005657 |
Product Name: |
6-bromo-2-sulfanylidene-1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
CAS: |
1233179-29-7 |
Synonyms: |
6-bromo-2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 6-bromo-2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
IUPAC Name: | 6-bromo-2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
Description: | 6-bromo-2-sulfanylidene-1H,2H,3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 1233179-29-7 ) is a useful research chemical. |
Molecular Weight: | 246.082 |
Molecular Formula: | C6H4BrN3OS |
Canonical SMILES: | C1=C2C(=O)NC(=S)NN2C=C1Br |
InChI: | InChI=1S/C6H4BrN3OS/c7-3-1-4-5(11)8-6(12)9-10(4)2-3/h1-2H,(H2,8,9,11,12) |
InChI Key: | CYYROEUHMXIRCX-UHFFFAOYSA-N |
LogP: | 1.86000 |
Publication Number | Title | Priority Date |
EP-2376491-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
EP-2376491-B1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
ES-2539620-T3 | Pyrrolotriazine as an inhibitor of ALK and JAK2 | 20081219 |
US-2012028919-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | 20081219 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.92585 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.92585 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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