AG003NFK

40775-78-8 | 7-HYDROXY-5-METHYL-2-METHYLTHIO-S-TRIAZOLO[1,5-A]PYRIMIDINE

AG003NFK

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CAS Number	40775-78-8
Catalog Number	AG003NFK(AGN-PC-0OA7E6)
Chemical Name	7-HYDROXY-5-METHYL-2-METHYLTHIO-S-TRIAZOLO[1,5-A]PYRIMIDINE
EC Number	255-072-8
IUPAC Name	5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI	InChI=1S/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3H,1-2H3,(H,8,9,10)
InChI Key	DITIBSDLGMCMTP-UHFFFAOYSA-N
MDL Number	MFCD00186154
Molecular Formula	C7H8N4OS
Molecular Weight	196.2296
NSC Number	509227
SMILES	OC1=CC(C)=NC2=NC(SC)=NN12
UNII	A5R2YSM6PF
Synonyms	40775-78-8, 5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine, 5-Methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, [1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(methylthio)-, UNII-A5R2YSM6PF, A5R2YSM6PF, 89853-03-2, ATSUZWSBVKDCRP-UHFFFAOYSA-N, [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-(methylthio)-, NSC-509227, 5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 7-Hydroxy-5-methyl-2-methylthio-s-triazolo(1,5-a)pyrimidine, 5-Methyl-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidin-7-ol, (1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 5-methyl-2-(methylthio)-, 5-methyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 7-Hydroxy-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin, 7-methyl-2-methylthio-4-hydro-1,2,4-triazolo[1,5-a]pyrimidin-5-ol, EINECS 255-072-8, NSC509227, NSC 509227, ACMC-209jgn, ACMC-20djg1, Maybridge3_000395, AC1L2QR7, AC1Q4H8Q, AC1Q6I22, SCHEMBL2315537, DTXSID8068252, SCHEMBL16691060, CTK2I1231, CTK4I3737, KS-00001AZT, HMS1432B21, ZINC8767180, [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol,5-methyl-2-(methylthio)-, ANW-29493, BBL000692, CCG-46340, FCH925678, MFCD00186154, SBB056342, STK263636, STK368720, AKOS000676575, AKOS002315362, AKOS002561006, AKOS030534042, ZINC100137519, MCULE-5056882189, RP04041, SDCCGMLS-0065884.P001, ACM40775788, IDI1_011782, KS-000014W0, AJ-59256, AK135206, AM803863, BAS 07441779, ST009486, AX8110679, DB-011007, TC-118238, CS-0038493, CS-0084415, FT-0621426, ST24044867, T7801, Y9039, SR-01000521511, J-517744, SR-01000521511-1, SR-01000636043-1, I14-60101, 6-Methyl, 2-methylmercapto-4-oxo-1,3,3a,7-tetrazaindene, 4-Hydroxy-6-methyl-2-methylmercapto-1,3,3a,7-tetraazaindene, 5-Methyl-2-methylthio-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, [1,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-(methylthio)-, 5-Methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a] pyrimidin-7-ol, 5-Methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 7-Hydroxy-5-methyl-2-methylthio-[1,2,4]triazolo[1,5-a]pyrimidine, 7-Hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-alpha]pyrimidine, (1,2,4)Triazolo(1,5-a)pyrimidin-7(1H)-one, 5-methyl-2-(methylthio)-, 2-(Methylthio)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 5-Methyl-2-(methylthio)(1,2,4)triazolo(1,5-a)pyrimidin-7(1H)-one, 5-Methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, InChI=1/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3H,1-2H3,(H,8,9,10, C7H8N4OS, C7-H8-N4-O-S, KST-1A4831, AR-1A8654, CID101400, H0940, 5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidin-7-ol, 4314-19-6,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.228g/mol
Monoisotopic Mass	196.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	82.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number