N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C15H11FN4O — CID 15944261

IUPACN-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H11FN4O/c16-11-6-8-12(9-7-11)18-15(21)14-17-10-20(19-14)13-4-2-1-3-5-13/h1-10H,(H,18,21)
InChIKeySESVLEJRHJECDP-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.66
Rot. Bonds3

About N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15944261) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15944261
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC NameN-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H11FN4O/c16-11-6-8-12(9-7-11)18-15(21)14-17-10-20(19-14)13-4-2-1-3-5-13/h1-10H,(H,18,21)
InChIKeySESVLEJRHJECDP-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15944261) is N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SESVLEJRHJECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-11-6-8-12(9-7-11)18-15(21)14-17-10-20(19-14)13-4-2-1-3-5-13/h1-10H,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 282.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).