N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C15H9BrF3N5O — CID 112830535

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H9BrF3N5O/c16-9-5-6-13(20-7-9)21-14(25)11-8-24(23-22-11)12-4-2-1-3-10(12)15(17,18)19/h1-8H,(H,20,21,25)
InChIKeyZQMMTFCLKGOQBC-UHFFFAOYSA-N
MW412.17 g/mol
LogP3.70
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 112830535) has the molecular formula C15H9BrF3N5O and a molecular weight of 412.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID112830535
Molecular FormulaC15H9BrF3N5O
Molecular Weight412.17 g/mol
Exact Mass410.99
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H9BrF3N5O/c16-9-5-6-13(20-7-9)21-14(25)11-8-24(23-22-11)12-4-2-1-3-10(12)15(17,18)19/h1-8H,(H,20,21,25)
InChIKeyZQMMTFCLKGOQBC-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide 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

N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876088
N-[2-(4-bromopyrazol-1-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112831209
N-(5-bromo-2-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819500
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886976
N-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886939
N-[(3-bromophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819552
N-(3-nitrophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876313
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886982
N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43062908
N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43072915
N'-[2-(4-fluorophenyl)acetyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carbohydrazide
CID 39917454
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886994

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 112830535) is N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is O=C(Nc1ccc(Br)cn1)c1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is ZQMMTFCLKGOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N5O/c16-9-5-6-13(20-7-9)21-14(25)11-8-24(23-22-11)12-4-2-1-3-10(12)15(17,18)19/h1-8H,(H,20,21,25).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 412.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 112830535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).