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

C9H7BrN4O — CID 2833459

IUPAC4-bromo-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyHHTREEFNQIRERW-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.42
Rot. Bonds2

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

4-bromo-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2833459) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 4-bromo-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2833459
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name4-bromo-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyHHTREEFNQIRERW-UHFFFAOYSA-N
XLogP1.42
TPSA59.81 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
CID 807494
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369460
N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 23991813
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
1-[(4-bromobenzoyl)amino]-4-methylpyrrole-2-carboxamide
CID 90069468
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N-(chloromethyl)benzamide
CID 29079018

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,2,4-triazol-4-yl)benzamide (CID 2833459) is 4-bromo-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HHTREEFNQIRERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15).
What are the key properties of 4-bromo-N-(1,2,4-triazol-4-yl)benzamide?
4-bromo-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 267.09 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2833459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).