N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide

C17H14FN5O2 — CID 46651849

IUPACN'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2/c1-11-19-15(22-23(11)14-9-7-13(18)8-10-14)17(25)21-20-16(24)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyFIYOQPUVQCBUJK-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.79
Rot. Bonds3

About N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide

N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 46651849) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
PubChem CID46651849
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC NameN'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2/c1-11-19-15(22-23(11)14-9-7-13(18)8-10-14)17(25)21-20-16(24)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyFIYOQPUVQCBUJK-UHFFFAOYSA-N
XLogP1.79
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide (CID 46651849) is N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide is Cc1nc(C(=O)NNC(=O)c2ccccc2)nn1-c1ccc(F)cc1.
What is the InChIKey of N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is FIYOQPUVQCBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-11-19-15(22-23(11)14-9-7-13(18)8-10-14)17(25)21-20-16(24)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide?
N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 339.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 46651849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).