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

C9H7BrN4O2 — CID 6481043

IUPAC5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyMLSGFFVRUUQAOI-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.13
Rot. Bonds2

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

5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (PubChem CID 6481043) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
PubChem CID6481043
Molecular FormulaC9H7BrN4O2
Molecular Weight283.08 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyMLSGFFVRUUQAOI-UHFFFAOYSA-N
XLogP1.13
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
CID 661648
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481016
5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962777
5-bromo-2-hydroxy-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 5077130
2-hydroxy-4-methyl-N-(1,2,4-triazol-1-yl)benzamide
CID 6481020
4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481033
5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481038
5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481047
2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 459485
5-fluoro-2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 73946938
(3-Amino-1,2,4-triazol-1-yl)-(2-hydroxyphenyl)methanone
CID 110485050
2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide
CID 140561603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (CID 6481043) is 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is O=C(Nn1cncn1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is MLSGFFVRUUQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16).
What are the key properties of 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 283.08 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 6481043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).