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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Related Compounds

6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione
CID 67159541
6-(azepane-1-carbonyl)-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 53088770
4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide
CID 175811093
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
(5,7-dimethyl-6,8-dioxo-2-phenylpyrimido[4,5-e][1,2,4]triazin-3-ylidene)cyanamide
CID 101362136
5-bromo-2-[4-(bromomethyl)phenyl]-4-methyl-1,2,4-triazol-3-one
CID 156847559
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
CID 12867814
8-(3-bromophenyl)-6,11,13-trimethyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 102516934
2-(9-bromo-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
CID 21183725
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687

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).