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

C9H7BrN4O2 — CID 5077130

IUPAC5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN4O2/c10-5-1-2-7(15)6(3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyJJYNQPKCJCJUJL-UHFFFAOYSA-N
MW283.09 g/mol
LogP1.53
Rot. Bonds2

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

5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 5077130) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID5077130
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN4O2/c10-5-1-2-7(15)6(3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyJJYNQPKCJCJUJL-UHFFFAOYSA-N
XLogP1.53
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Salicyloylaminotriazole
CID 94473
5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962777
2-hydroxy-4-methyl-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 6481021
5-fluoro-2-hydroxy-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 6481039
5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481043
2-hydroxy-N-(1H-1,2,4-triazol-1-ylmethyl)benzamide
CID 1115354
2-fluoro-6-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 99717905
5-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80716624
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 104918443
4-fluoro-2-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113304621
5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 134023054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 5077130) is 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is JJYNQPKCJCJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-5-1-2-7(15)6(3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 283.09 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 5077130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).