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

C10H6F4N4O2 — CID 169402280

IUPAC5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H6F4N4O2/c11-6-2-1-4(20-10(12,13)14)3-5(6)7-8(9(15)19)17-18-16-7/h1-3H,(H2,15,19)(H,16,17,18)
InChIKeyPCOKDYJIQZWKQZ-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.61
Rot. Bonds3

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

5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402280) has the molecular formula C10H6F4N4O2 and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402280
Molecular FormulaC10H6F4N4O2
Molecular Weight290.18 g/mol
Exact Mass290.04
IUPAC Name5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H6F4N4O2/c11-6-2-1-4(20-10(12,13)14)3-5(6)7-8(9(15)19)17-18-16-7/h1-3H,(H2,15,19)(H,16,17,18)
InChIKeyPCOKDYJIQZWKQZ-UHFFFAOYSA-N
XLogP1.61
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404442
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
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-(3-bromo-4-fluoro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169404864
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-[2-[(4-fluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402614
5-(5-methoxy-2-prop-2-ynoxyphenyl)-2H-triazole-4-carboxamide
CID 169403412

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169402280) is 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is PCOKDYJIQZWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O2/c11-6-2-1-4(20-10(12,13)14)3-5(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-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).