4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide

C10H7BrN4O2 — CID 114388210

IUPAC4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(Br)cc1O
InChIInChI=1S/C10H7BrN4O2/c11-6-1-2-7(8(16)5-6)9(17)14-10-12-3-4-13-15-10/h1-5,16H,(H,12,14,15,17)
InChIKeyXBJLVOZBNQTCGR-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.59
Rot. Bonds2

About 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide

4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114388210) has the molecular formula C10H7BrN4O2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114388210
Molecular FormulaC10H7BrN4O2
Molecular Weight295.10 g/mol
Exact Mass293.98
IUPAC Name4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(Br)cc1O
InChIInChI=1S/C10H7BrN4O2/c11-6-1-2-7(8(16)5-6)9(17)14-10-12-3-4-13-15-10/h1-5,16H,(H,12,14,15,17)
InChIKeyXBJLVOZBNQTCGR-UHFFFAOYSA-N
XLogP1.59
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387334
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
2-bromo-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114387365
5-bromo-N-(1,2,4-triazin-3-yl)furan-3-carboxamide
CID 130636960
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide (CID 114388210) is 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide is O=C(Nc1nccnn1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is XBJLVOZBNQTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2/c11-6-1-2-7(8(16)5-6)9(17)14-10-12-3-4-13-15-10/h1-5,16H,(H,12,14,15,17).
What are the key properties of 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide?
4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 295.10 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114388210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).