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

C11H11BrN4O — CID 112705907

IUPAC4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(Br)c(C)c2)n[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-5-8(3-4-9(6)12)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBQKPVYGQHGIZJC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.44
Rot. Bonds2

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

4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 112705907) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID112705907
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(Br)c(C)c2)n[nH]1
InChIInChI=1S/C11H11BrN4O/c1-6-5-8(3-4-9(6)12)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBQKPVYGQHGIZJC-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103736115
3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 79673258
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928260
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103779385
5-bromo-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 79964883
5-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 79003749
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 112705907) is 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccc(Br)c(C)c2)n[nH]1.
What is the InChIKey of 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is BQKPVYGQHGIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-5-8(3-4-9(6)12)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 112705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).