4-bromo-2-(1,2,4-triazol-1-yl)benzamide

C9H7BrN4O — CID 115773784

IUPAC4-bromo-2-(1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(Br)cc1-n1cncn1
InChIInChI=1S/C9H7BrN4O/c10-6-1-2-7(9(11)15)8(3-6)14-5-12-4-13-14/h1-5H,(H2,11,15)
InChIKeySCNPVTYIJHCDRD-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.13
Rot. Bonds2

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

4-bromo-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 115773784) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 4-bromo-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID115773784
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name4-bromo-2-(1,2,4-triazol-1-yl)benzamide
SMILESNC(=O)c1ccc(Br)cc1-n1cncn1
InChIInChI=1S/C9H7BrN4O/c10-6-1-2-7(9(11)15)8(3-6)14-5-12-4-13-14/h1-5H,(H2,11,15)
InChIKeySCNPVTYIJHCDRD-UHFFFAOYSA-N
XLogP1.13
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 114907640
4-amino-3-(1,2,4-triazol-1-yl)benzamide
CID 63356286
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
6-bromo-4-(1,2,4-triazol-1-yl)naphthalene-1,2-diol
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(2S)-N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbutanamide
CID 94413580
2-(3-aminopyrazol-1-yl)-5-bromobenzamide
CID 114895160
6-bromo-4-(1,2,4-triazol-1-yl)quinoline
CID 121406014
N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 60608765
4-bromo-2-(4-methylpiperidin-1-yl)benzamide
CID 69307708
methyl 1-(5-bromo-2-carbamothioylphenyl)-1,2,4-triazole-3-carboxylate
CID 114903604
1-[4-bromo-2-(methoxymethoxy)phenyl]-1,2,4-triazole
CID 135184043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 4-bromo-2-(1,2,4-triazol-1-yl)benzamide (CID 115773784) is 4-bromo-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 4-bromo-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 4-bromo-2-(1,2,4-triazol-1-yl)benzamide is NC(=O)c1ccc(Br)cc1-n1cncn1.
What is the InChIKey of 4-bromo-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is SCNPVTYIJHCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-6-1-2-7(9(11)15)8(3-6)14-5-12-4-13-14/h1-5H,(H2,11,15).
What are the key properties of 4-bromo-2-(1,2,4-triazol-1-yl)benzamide?
4-bromo-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 267.09 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 115773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).