2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one

C16H14BrN3O2 — CID 68893251

IUPAC2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one
SMILESCOc1ccccc1C1=NN(c2ccccc2Br)C(=O)NC1
InChIInChI=1S/C16H14BrN3O2/c1-22-15-9-5-2-6-11(15)13-10-18-16(21)20(19-13)14-8-4-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKKXDAJZIZLAXOA-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one

2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one (PubChem CID 68893251) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one
PubChem CID68893251
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one
SMILESCOc1ccccc1C1=NN(c2ccccc2Br)C(=O)NC1
InChIInChI=1S/C16H14BrN3O2/c1-22-15-9-5-2-6-11(15)13-10-18-16(21)20(19-13)14-8-4-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKKXDAJZIZLAXOA-UHFFFAOYSA-N
XLogP3.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one (CID 68893251) is 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one is COc1ccccc1C1=NN(c2ccccc2Br)C(=O)NC1.
What is the InChIKey of 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is KKXDAJZIZLAXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-22-15-9-5-2-6-11(15)13-10-18-16(21)20(19-13)14-8-4-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one?
2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 360.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 68893251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).