N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide

C15H12FN5O — CID 703013

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-11-8-6-10(7-9-11)13(22)18-15-19-14(17)21(20-15)12-4-2-1-3-5-12/h1-9H,(H3,17,18,19,20,22)
InChIKeyFLGUNXUEIFFMEC-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.24
Rot. Bonds3

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide (PubChem CID 703013) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide
PubChem CID703013
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide
SMILESNc1nc(NC(=O)c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C15H12FN5O/c16-11-8-6-10(7-9-11)13(22)18-15-19-14(17)21(20-15)12-4-2-1-3-5-12/h1-9H,(H3,17,18,19,20,22)
InChIKeyFLGUNXUEIFFMEC-UHFFFAOYSA-N
XLogP2.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide (CID 703013) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide is Nc1nc(NC(=O)c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The InChIKey is FLGUNXUEIFFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-11-8-6-10(7-9-11)13(22)18-15-19-14(17)21(20-15)12-4-2-1-3-5-12/h1-9H,(H3,17,18,19,20,22).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide has a molecular weight of 297.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 703013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).