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

C10H7F3N4O2 — CID 47355443

IUPACN-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)19-8-4-2-1-3-6(8)15-9(18)7-5-14-17-16-7/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyQHAKOVMJAITKCD-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.96
Rot. Bonds3

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

N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 47355443) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID47355443
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC NameN-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)19-8-4-2-1-3-6(8)15-9(18)7-5-14-17-16-7/h1-5H,(H,15,18)(H,14,16,17)
InChIKeyQHAKOVMJAITKCD-UHFFFAOYSA-N
XLogP1.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 121066991
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107517737
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (CID 47355443) is N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1cn[nH]n1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is QHAKOVMJAITKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)19-8-4-2-1-3-6(8)15-9(18)7-5-14-17-16-7/h1-5H,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47355443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).