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

C16H11F3N4O2 — CID 169403087

IUPAC5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)10-4-1-8(2-5-10)9-3-6-12(24)11(7-9)13-14(15(20)25)22-23-21-13/h1-7,24H,(H2,20,25)(H,21,22,23)
InChIKeyLUBDHEFPXJTVCR-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.96
Rot. Bonds3

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

5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403087) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403087
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)10-4-1-8(2-5-10)9-3-6-12(24)11(7-9)13-14(15(20)25)22-23-21-13/h1-7,24H,(H2,20,25)(H,21,22,23)
InChIKeyLUBDHEFPXJTVCR-UHFFFAOYSA-N
XLogP2.96
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxylate
CID 169400092
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
5-(2-hydroxy-5-nitrophenyl)-2H-triazole-4-carboxamide
CID 169401954
ethyl 5-[5-(4-fluorophenyl)-2-hydroxyphenyl]-2H-triazole-4-carboxylate
CID 169401903
5-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169403044
5-(5-cyclopropyl-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169404504
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169403137
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-[2-iodo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404458
5-[2-bromo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404858
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide (CID 169403087) is 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is LUBDHEFPXJTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-16(18,19)10-4-1-8(2-5-10)9-3-6-12(24)11(7-9)13-14(15(20)25)22-23-21-13/h1-7,24H,(H2,20,25)(H,21,22,23).
What are the key properties of 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide?
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).