3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamine

• Catalog Number: ACMA00001281
• Category: Amines
• Molecular Weight: 155.18
• Molecular Formula: C₃H₁₁BIN
• Hazard Statements: H301-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C4H5N5S.

What is the molecular weight of the compound?

The molecular weight is 155.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

What is the InChI of the compound?

The InChI is InChI=1S/C4H5N5S/c1-2-6-7-4-9(2)8-3(5)10-4/h1H3,(H2,5,8).

What is the InChIKey of the compound?

The InChIKey is MSEQOANGAYRVAI-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=NN=C2N1N=C(S2)N.

What is the CAS number of the compound?

The CAS number is 3176-51-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.3.

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 5 hydrogen bond acceptor count.