6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione - CAS 4956-05-2

Name: 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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Related Functional Groups

Triazines

[30360-19-1]C10H20N6
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[125700-69-8]C12H16BF4N5O2
O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate
[1368414-41-8]C10H8ClN3
3-Chloro-5-(p-tolyl)-1,2,4-triazine
[1489-04-9]C4H4N6
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine
[26650-76-0]C6H5Cl2N3O
2,4-dichloro-6-prop-2-enoxy-1,3,5-triazine
[2630-10-6]C5H8N4O2
N-Ethylammelide

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