5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile

• Catalog Number: ACMA00002093
• Category: Ethers
• Molecular Weight: 200.20
• Molecular Formula: C₁₀H₈N₂OS
• Hazard Statements: H319-H360Df
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular weight of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?

The molecular weight is 200.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile.

What is the InChI code of the compound?

The InChI code is InChI=1S/C10H8N4O/c1-15-8-4-2-7(3-5-8)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14).

What is the InChIKey of the compound?

The InChIKey is KHRXUZBXDSNCBO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC=C(C=C1)C2=NNN=C2C#N.

What is the CAS number of the compound?

The CAS number is 39807-65-3.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL239896.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.3.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor count.