N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide

C15H11BrN4O — CID 39087725

IUPACN-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H11BrN4O/c16-11-6-8-12(9-7-11)17-15(21)14-10-20(19-18-14)13-4-2-1-3-5-13/h1-10H,(H,17,21)
InChIKeyLLHUCMFYVWUKRZ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.28
Rot. Bonds3

About N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide

N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 39087725) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
PubChem CID39087725
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC NameN-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H11BrN4O/c16-11-6-8-12(9-7-11)17-15(21)14-10-20(19-18-14)13-4-2-1-3-5-13/h1-10H,(H,17,21)
InChIKeyLLHUCMFYVWUKRZ-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 51593261
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 87028248
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide
CID 39090650
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide (CID 39087725) is N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is LLHUCMFYVWUKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-6-8-12(9-7-11)17-15(21)14-10-20(19-18-14)13-4-2-1-3-5-13/h1-10H,(H,17,21).
What are the key properties of N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide?
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 39087725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).