5-(4-Methoxy-phenyl)-4H-[1,2,4]triazol-3-ylamine

• Catalog Number: ACMA00002901
• Category: Ethers
• Molecular Weight: 190.20
• Molecular Formula: C₉H₁₀F₃NO
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 781002?

The molecular formula is C9H10N4O.

What is the molecular weight of the compound?

The molecular weight is 190.20 g/mol.

What is the IUPAC name of the compound?

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

What is the InChIKey of the compound?

The InChIKey is BKEAHUXWMIWWCP-UHFFFAOYSA-N.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is COC1=CC=C(C=C1)C2=NC(=NN2)N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 76.8Ų.

Is the compound considered canonicalized?

Yes, the compound is considered canonicalized.

What is the complexity value of the compound?

The complexity value is 182.