5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C10H6F4N4O — CID 169402175

IUPAC5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H6F4N4O/c11-6-3-4(10(12,13)14)1-2-5(6)7-8(9(15)19)17-18-16-7/h1-3H,(H2,15,19)(H,16,17,18)
InChIKeyPPXFKZDVDMVHPR-UHFFFAOYSA-N
MW274.18 g/mol
LogP1.73
Rot. Bonds2

About 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402175) has the molecular formula C10H6F4N4O and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402175
Molecular FormulaC10H6F4N4O
Molecular Weight274.18 g/mol
Exact Mass274.05
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H6F4N4O/c11-6-3-4(10(12,13)14)1-2-5(6)7-8(9(15)19)17-18-16-7/h1-3H,(H2,15,19)(H,16,17,18)
InChIKeyPPXFKZDVDMVHPR-UHFFFAOYSA-N
XLogP1.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403044
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-(3-bromo-4-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169404863
5-(4-bromo-2-fluoro-5-iodophenyl)-2H-triazole-4-carboxamide
CID 169404931
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-[2-bromo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404858
5-[2-iodo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404458
5-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 169402175) is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is PPXFKZDVDMVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O/c11-6-3-4(10(12,13)14)1-2-5(6)7-8(9(15)19)17-18-16-7/h1-3H,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 274.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).