N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide

C15H11FN4O2 — CID 162649394

IUPACN-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)17-15(22)14-9-20(19-18-14)10-5-7-11(21)8-6-10/h1-9,21H,(H,17,22)
InChIKeyGCPNZMNEMCLDIX-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.36
Rot. Bonds3

About N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide

N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide (PubChem CID 162649394) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide
PubChem CID162649394
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC NameN-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)17-15(22)14-9-20(19-18-14)10-5-7-11(21)8-6-10/h1-9,21H,(H,17,22)
InChIKeyGCPNZMNEMCLDIX-UHFFFAOYSA-N
XLogP2.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide (CID 162649394) is N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide is O=C(Nc1ccccc1F)c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide?
The InChIKey is GCPNZMNEMCLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)17-15(22)14-9-20(19-18-14)10-5-7-11(21)8-6-10/h1-9,21H,(H,17,22).
What are the key properties of N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide?
N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide has a molecular weight of 298.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 162649394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).