N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide

C11H11BrN4O — CID 81003417

IUPACN-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H11BrN4O/c1-2-7-5-8(12)3-4-9(7)14-11(17)10-6-13-16-15-10/h3-6H,2H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyASAALMXRYJFTLJ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.38
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide

N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide (PubChem CID 81003417) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
PubChem CID81003417
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H11BrN4O/c1-2-7-5-8(12)3-4-9(7)14-11(17)10-6-13-16-15-10/h3-6H,2H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyASAALMXRYJFTLJ-UHFFFAOYSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642974
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 110475529
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
N-(4-bromonaphthalen-1-yl)-2H-triazole-4-carboxamide
CID 112551550
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398
N-(4-bromo-2-ethylphenyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81004332
4-bromo-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 114003870
N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 114286938
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide (CID 81003417) is N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is ASAALMXRYJFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-7-5-8(12)3-4-9(7)14-11(17)10-6-13-16-15-10/h3-6H,2H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 81003417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).