N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide

C16H12FN5O2 — CID 46422486

IUPACN'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H12FN5O2/c17-13-9-5-4-8-12(13)15(23)19-20-16(24)14-10-22(21-18-14)11-6-2-1-3-7-11/h1-10H,(H,19,23)(H,20,24)
InChIKeyPLCQRALUNNZIFA-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.48
Rot. Bonds3

About N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide

N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide (PubChem CID 46422486) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
PubChem CID46422486
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC NameN'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H12FN5O2/c17-13-9-5-4-8-12(13)15(23)19-20-16(24)14-10-22(21-18-14)11-6-2-1-3-7-11/h1-10H,(H,19,23)(H,20,24)
InChIKeyPLCQRALUNNZIFA-UHFFFAOYSA-N
XLogP1.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.48
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-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide (CID 46422486) is N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide?
The InChIKey is PLCQRALUNNZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c17-13-9-5-4-8-12(13)15(23)19-20-16(24)14-10-22(21-18-14)11-6-2-1-3-7-11/h1-10H,(H,19,23)(H,20,24).
What are the key properties of N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide?
N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide has a molecular weight of 325.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 46422486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).