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

C10H9BrN4O — CID 80709266

IUPAC4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN4O/c1-15-10(12-6-13-15)14-9(16)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14,16)
InChIKeyODPDCIOTJFOCSY-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.83
Rot. Bonds2

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

4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 80709266) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID80709266
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN4O/c1-15-10(12-6-13-15)14-9(16)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14,16)
InChIKeyODPDCIOTJFOCSY-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 103769476
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80716625
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605
5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 80709517
2-amino-6-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 80716626
4-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 35761193
7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 75519580

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 80709266) is 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ODPDCIOTJFOCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-10(12-6-13-15)14-9(16)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13,14,16).
What are the key properties of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 281.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 80709266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).