116598-69-7 Usage
General Description
(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile, also known as THATA, is a chemical compound that belongs to the class of triazoloazepines. It is a heterocyclic compound with a five-membered ring containing three nitrogen atoms. THATA has the chemical formula C10H11N5 and a molecular weight of 197.234 g/mol. (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE is used in the pharmaceutical industry for its potential biological activities, including as an antitumor and antifungal agent. It is also being studied for its potential applications in the treatment of neurological disorders due to its interaction with neurotransmitter receptors in the brain.
Check Digit Verification of cas no
The CAS Registry Mumber 116598-69-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,5,9 and 8 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 116598-69:
(8*1)+(7*1)+(6*6)+(5*5)+(4*9)+(3*8)+(2*6)+(1*9)=157
157 % 10 = 7
So 116598-69-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H12N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-5,7H2
116598-69-7Relevant articles and documents
Study of reactions of lactim ethers with cyanoacetohydrazide
Nilov,Granik
, p. 1636 - 1641 (2007/10/03)
Main pathways in reactions of lactim ethers with cyanoacetic acid hydrazide depend on the ring size of the starting lactim ether. Five-membered O-methylbutyrolactim produces pre-dominantly 3-amino-4-(pyrrolidin-2-ylidene)-4, 5-dihydropyrazol-5-one, whereas condensation of six-and seven-membered lactim ethers (O-methylvalero-and O-methylcaprolactim, respectively) affords the corresponding polymethylenetriazoles as the major products.
