5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide

C10H6BrF3N4O3 — CID 169404776

IUPAC5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(Br)cc(OC(F)(F)F)c1O
InChIInChI=1S/C10H6BrF3N4O3/c11-3-1-4(6-7(9(15)20)17-18-16-6)8(19)5(2-3)21-10(12,13)14/h1-2,19H,(H2,15,20)(H,16,17,18)
InChIKeyDFQBQTHVTHYKHD-UHFFFAOYSA-N
MW367.08 g/mol
LogP1.94
Rot. Bonds3

About 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide

5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404776) has the molecular formula C10H6BrF3N4O3 and a molecular weight of 367.08 g/mol. Its IUPAC name is 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404776
Molecular FormulaC10H6BrF3N4O3
Molecular Weight367.08 g/mol
Exact Mass365.96
IUPAC Name5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(Br)cc(OC(F)(F)F)c1O
InChIInChI=1S/C10H6BrF3N4O3/c11-3-1-4(6-7(9(15)20)17-18-16-6)8(19)5(2-3)21-10(12,13)14/h1-2,19H,(H2,15,20)(H,16,17,18)
InChIKeyDFQBQTHVTHYKHD-UHFFFAOYSA-N
XLogP1.94
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404852
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442
5-(5-ethyl-2-hydroxy-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402902
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-(3-bromo-4-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169404863
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
5-[5-bromo-2-(3-cyanopropoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403928
5-(3-bromo-2-hydroxy-4-methyl-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169402914
5-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864
5-(4-bromo-2-fluoro-5-iodophenyl)-2H-triazole-4-carboxamide
CID 169404931

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169404776) is 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(Br)cc(OC(F)(F)F)c1O.
What is the InChIKey of 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is DFQBQTHVTHYKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N4O3/c11-3-1-4(6-7(9(15)20)17-18-16-6)8(19)5(2-3)21-10(12,13)14/h1-2,19H,(H2,15,20)(H,16,17,18).
What are the key properties of 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 367.08 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).