5-(2-Fluorophenyl)-4H-1,2,4-triazol-3-amine

• Catalog Number: ACMA00001924
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 178.17
• Molecular Formula: C₇H₄FIO₂
• Hazard Statements: H315-H319-H335
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 684850?

The molecular formula is C8H7FN4.

What is the molecular weight of the compound?

The molecular weight is 178.17 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine.

What is the InChI of the compound?

The InChI is InChI=1S/C8H7FN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13).

What is the InChIKey of the compound?

The InChIKey is PFTYWMOSGGHMSR-UHFFFAOYSA-N.

What is the Canonical SMILES notation of the compound?

The Canonical SMILES is C1=CC=C(C(=C1)C2=NC(=NN2)N)F.

What is the date of creation of this compound in PubChem?

It was created on July 7, 2005.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.4.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.