1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one

C70H60Br5Cl2N23O13 — CID 161224001

About 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one

1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one (PubChem CID 161224001) has the molecular formula C70H60Br5Cl2N23O13 and a molecular weight of 1901.82 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
• PubChem CID: 161224001
• Molecular Formula: C70H60Br5Cl2N23O13
• Molecular Weight: 1901.82 g/mol
• Exact Mass: 1895.00
• IUPAC Name: 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one
• SMILES: Cc1nnc(NCC(=O)c2cc(Br)cc(Cl)c2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccc2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccn2)[nH]c1=O.O=C(CNc1ncc(Br)cn1)c1cc(Br)cc(Cl)c1O.O=C(CNc1ncc(Br)cn1)c1ccccc1O.O=C(CNc1ncc(Br)cn1)c1ccccn1
• InChI: InChI=1S/C12H8Br2ClN3O2.C12H10BrClN4O3.C12H10BrN3O2.C12H12N4O3.C11H9BrN4O.C11H11N5O2/c13-6-1-8(11(20)9(15)2-6)10(19)5-18-12-16-3-7(14)4-17-12;1-5-11(21)16-12(18-17-5)15-4-9(19)7-2-6(13)3-8(14)10(7)20;13-8-5-14-12(15-6-8)16-7-11(18)9-3-1-2-4-10(9)17;1-7-11(19)14-12(16-15-7)13-6-10(18)8-4-2-3-5-9(8)17;12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9;1-7-10(18)14-11(16-15-7)13-6-9(17)8-4-2-3-5-12-8/h1-4,20H,5H2,(H,16,17,18);2-3,20H,4H2,1H3,(H2,15,16,18,21);1-6,17H,7H2,(H,14,15,16);2-5,17H,6H2,1H3,(H2,13,14,16,19);1-6H,7H2,(H,14,15,16);2-5H,6H2,1H3,(H2,13,14,16,18)
• InChIKey: UXWQBKAHRPIYMQ-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 534.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.82
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one (CID 161224001) is 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one.

What is the SMILES notation for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The canonical SMILES for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one is Cc1nnc(NCC(=O)c2cc(Br)cc(Cl)c2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccc2O)[nH]c1=O.Cc1nnc(NCC(=O)c2ccccn2)[nH]c1=O.O=C(CNc1ncc(Br)cn1)c1cc(Br)cc(Cl)c1O.O=C(CNc1ncc(Br)cn1)c1ccccc1O.O=C(CNc1ncc(Br)cn1)c1ccccn1.

What is the InChIKey of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

The InChIKey is UXWQBKAHRPIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClN3O2.C12H10BrClN4O3.C12H10BrN3O2.C12H12N4O3.C11H9BrN4O.C11H11N5O2/c13-6-1-8(11(20)9(15)2-6)10(19)5-18-12-16-3-7(14)4-17-12;1-5-11(21)16-12(18-17-5)15-4-9(19)7-2-6(13)3-8(14)10(7)20;13-8-5-14-12(15-6-8)16-7-11(18)9-3-1-2-4-10(9)17;1-7-11(19)14-12(16-15-7)13-6-10(18)8-4-2-3-5-9(8)17;12-8-5-14-11(15-6-8)16-7-10(17)9-3-1-2-4-13-9;1-7-10(18)14-11(16-15-7)13-6-9(17)8-4-2-3-5-12-8/h1-4,20H,5H2,(H,16,17,18);2-3,20H,4H2,1H3,(H2,15,16,18,21);1-6,17H,7H2,(H,14,15,16);2-5,17H,6H2,1H3,(H2,13,14,16,19);1-6H,7H2,(H,14,15,16);2-5H,6H2,1H3,(H2,13,14,16,18).

What are the key properties of 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one?

1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one has a molecular weight of 1901.82 g/mol, XLogP of 10.35, 24 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-3-chloro-2-hydroxyphenyl)-2-[(5-bromopyrimidin-2-yl)amino]ethanone;3-[[2-(5-bromo-3-chloro-2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;2-[(5-bromopyrimidin-2-yl)amino]-1-(2-hydroxyphenyl)ethanone;2-[(5-bromopyrimidin-2-yl)amino]-1-pyridin-2-ylethanone;3-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2-oxo-2-pyridin-2-ylethyl)amino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 161224001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).