N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide

C9H7FN4O — CID 174732439

IUPACN-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(F)n1)c1ccccc1
InChIInChI=1S/C9H7FN4O/c10-8-12-9(14-13-8)11-7(15)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14,15)
InChIKeyAQMOOOSSUVMCID-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.20
Rot. Bonds2

About N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide

N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 174732439) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID174732439
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC NameN-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(F)n1)c1ccccc1
InChIInChI=1S/C9H7FN4O/c10-8-12-9(14-13-8)11-7(15)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14,15)
InChIKeyAQMOOOSSUVMCID-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide (CID 174732439) is N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(F)n1)c1ccccc1.
What is the InChIKey of N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is AQMOOOSSUVMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-8-12-9(14-13-8)11-7(15)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14,15).
What are the key properties of N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 206.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 174732439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).