N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C10H7F3N4O — CID 110475487

IUPACN-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn[nH]n1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-1-3-7(4-2-6)15-9(18)8-5-14-17-16-8/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyGGLMNFQYHFYRFQ-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.08
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 110475487) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID110475487
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn[nH]n1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-1-3-7(4-2-6)15-9(18)8-5-14-17-16-8/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyGGLMNFQYHFYRFQ-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2H-triazole-4-carbonylamino)benzoic acid
CID 62033868
2-(2H-triazole-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66270274
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
5-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 171616756
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
3-[4-(2H-triazole-4-carbonylamino)phenyl]prop-2-enoic acid
CID 78979322
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239
6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200265
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 110475487) is N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cn[nH]n1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is GGLMNFQYHFYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)6-1-3-7(4-2-6)15-9(18)8-5-14-17-16-8/h1-5H,(H,15,18)(H,14,16,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 256.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).