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

C9H7BrN4O — CID 56737242

IUPAC4-bromo-3-(1,2,4-triazol-4-yl)benzamide
SMILESNC(=O)c1ccc(Br)c(-n2cnnc2)c1
InChIInChI=1S/C9H7BrN4O/c10-7-2-1-6(9(11)15)3-8(7)14-4-12-13-5-14/h1-5H,(H2,11,15)
InChIKeyVZQWYDBSODCSFR-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.13
Rot. Bonds2

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

4-bromo-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 56737242) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 4-bromo-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID56737242
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name4-bromo-3-(1,2,4-triazol-4-yl)benzamide
SMILESNC(=O)c1ccc(Br)c(-n2cnnc2)c1
InChIInChI=1S/C9H7BrN4O/c10-7-2-1-6(9(11)15)3-8(7)14-4-12-13-5-14/h1-5H,(H2,11,15)
InChIKeyVZQWYDBSODCSFR-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-bromo-3-(1,2,4-triazol-4-yl)benzamide (CID 56737242) is 4-bromo-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-(1,2,4-triazol-4-yl)benzamide is NC(=O)c1ccc(Br)c(-n2cnnc2)c1.
What is the InChIKey of 4-bromo-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is VZQWYDBSODCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-7-2-1-6(9(11)15)3-8(7)14-4-12-13-5-14/h1-5H,(H2,11,15).
What are the key properties of 4-bromo-3-(1,2,4-triazol-4-yl)benzamide?
4-bromo-3-(1,2,4-triazol-4-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-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 56737242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).