6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione - CAS 4956-05-2
Catalog: |
BB026731 |
Product Name: |
6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione |
CAS: |
4956-05-2 |
Synonyms: |
6-bromo-2H-1,2,4-triazine-3,5-dione; 6-bromo-2H-1,2,4-triazine-3,5-dione |
IUPAC Name: | 6-bromo-2H-1,2,4-triazine-3,5-dione |
Description: | 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione (CAS# 4956-05-2) is a useful research chemical. |
Molecular Weight: | 191.97 |
Molecular Formula: | C3H2BrN3O2 |
Canonical SMILES: | C1(=O)C(=NNC(=O)N1)Br |
InChI: | InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9) |
InChI Key: | VNTFEWXYAOATFA-UHFFFAOYSA-N |
Density: | 2.61 g/cm3 |
Appearance: | Solid |
LogP: | -0.77930 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021164718-A1 | 2,6-disubstituted 1,2,4-triazine-3,5-dione compound, and preparation method therefor, and application thereof | 20200220 |
US-2021230146-A1 | Thyroid hormone receptor agonists and use thereof | 20200113 |
WO-2021143706-A1 | Substituted triazinones as thyroid hormone receptor agonists | 20200113 |
WO-2021041237-A1 | Thyroid hormone receptor beta agonist compounds | 20190823 |
US-2020354345-A1 | Modulators of thr-beta and methods of use thereof | 20190508 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.93304 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.93304 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 70.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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