3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide

C11H11BrN4O — CID 99703368

IUPAC3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nncn2C)c1
InChIInChI=1S/C11H11BrN4O/c1-7-3-8(5-9(12)4-7)10(17)14-11-15-13-6-16(11)2/h3-6H,1-2H3,(H,14,15,17)
InChIKeyMHYQHVVXEBFDKH-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.14
Rot. Bonds2

About 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide

3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 99703368) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID99703368
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nncn2C)c1
InChIInChI=1S/C11H11BrN4O/c1-7-3-8(5-9(12)4-7)10(17)14-11-15-13-6-16(11)2/h3-6H,1-2H3,(H,14,15,17)
InChIKeyMHYQHVVXEBFDKH-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(3-chloropyrazin-2-yl)-5-methylbenzamide
CID 102989546
3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
CID 122143078
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5-methylbenzamide
CID 99636067
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide (CID 99703368) is 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide is Cc1cc(Br)cc(C(=O)Nc2nncn2C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is MHYQHVVXEBFDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-3-8(5-9(12)4-7)10(17)14-11-15-13-6-16(11)2/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 99703368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).