N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide

C15H10F3N5O — CID 141406245

IUPACN'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide
SMILESO=C(NNc1cccc(F)c1F)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H10F3N5O/c16-9-4-6-10(7-5-9)23-8-13(20-22-23)15(24)21-19-12-3-1-2-11(17)14(12)18/h1-8,19H,(H,21,24)
InChIKeySIHZHXLEGFDJEO-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.44
Rot. Bonds4

About N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide

N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide (PubChem CID 141406245) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide
PubChem CID141406245
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide
SMILESO=C(NNc1cccc(F)c1F)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C15H10F3N5O/c16-9-4-6-10(7-5-9)23-8-13(20-22-23)15(24)21-19-12-3-1-2-11(17)14(12)18/h1-8,19H,(H,21,24)
InChIKeySIHZHXLEGFDJEO-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.44
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'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide?
The IUPAC name of N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide (CID 141406245) is N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide?
The canonical SMILES for N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide is O=C(NNc1cccc(F)c1F)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide?
The InChIKey is SIHZHXLEGFDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-9-4-6-10(7-5-9)23-8-13(20-22-23)15(24)21-19-12-3-1-2-11(17)14(12)18/h1-8,19H,(H,21,24).
What are the key properties of N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide?
N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide has a molecular weight of 333.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide is sourced from PubChem (CID 141406245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).