3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide

C12H10BrClN4O — CID 114020153

IUPAC3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)nc1C
InChIInChI=1S/C12H10BrClN4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyFORXKHGXAQAESQ-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.16
Rot. Bonds2

About 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide

3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide (PubChem CID 114020153) has the molecular formula C12H10BrClN4O and a molecular weight of 341.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
PubChem CID114020153
Molecular FormulaC12H10BrClN4O
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC Name3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)nc1C
InChIInChI=1S/C12H10BrClN4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyFORXKHGXAQAESQ-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114024558
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
CID 114387285
3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 103826786
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114389412
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 114389401
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxybenzamide
CID 114388178
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
4-carbamothioyl-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114387992
3-bromo-5-chlorobenzamide
CID 53417471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide (CID 114020153) is 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide is Cc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)nc1C.
What is the InChIKey of 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
The InChIKey is FORXKHGXAQAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O/c1-6-7(2)17-18-12(15-6)16-11(19)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,16,18,19).
What are the key properties of 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide?
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide has a molecular weight of 341.60 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114020153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).