6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione

C10H8BrN3O2 — CID 90278238

IUPAC6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(Br)nn(-c2ccccc2)c1=O
InChIInChI=1S/C10H8BrN3O2/c1-13-9(15)8(11)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIPDRBSZHAUCHNC-UHFFFAOYSA-N
MW282.10 g/mol
LogP0.69
Rot. Bonds1

About 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione

6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 90278238) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
PubChem CID90278238
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(Br)nn(-c2ccccc2)c1=O
InChIInChI=1S/C10H8BrN3O2/c1-13-9(15)8(11)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIPDRBSZHAUCHNC-UHFFFAOYSA-N
XLogP0.69
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione (CID 90278238) is 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione is Cn1c(=O)c(Br)nn(-c2ccccc2)c1=O.
What is the InChIKey of 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is IPDRBSZHAUCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-13-9(15)8(11)12-14(10(13)16)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione?
6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 282.10 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 90278238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).