AG00DC5E

5334-35-0 | 6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one

AG00DC5E

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CAS Number	5334-35-0
Catalog Number	AG00DC5E(AGN-PC-0OBVCP)
Chemical Name	6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
IUPAC Name	6-chloro-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI	InChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
InChI Key	ZEOTVBXCUMNWLS-UHFFFAOYSA-N
MDL Number	MFCD00043497
Molecular Formula	C6H5ClN4O
Molecular Weight	184.5831
NSC Number	1406
SMILES	O=C1C2=C(N(C)N=C2)NC(Cl)=N1
Synonyms	5334-35-0, 6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one, 6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 6-chloro-1-methyl-1,2-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one, 6-chloro-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one, 6-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL, NSC1406, AC1Q3HAG, AC1L57E9, AC1Q40F5, SCHEMBL3424725, CTK4J7677, DTXSID10277266, ZEOTVBXCUMNWLS-UHFFFAOYSA-N, NSC-1406, ANW-67412, MFCD18793419, ZINC16891208, AKOS015830632, AKOS016006560, AKOS030705009, ZINC100367670, MCULE-9747977169, NE50581, RP03363, SB16437, KS-00000D73, AJ-69595, AK-88257, DS-18448, SC-52709, SY036659, Y9361, EN300-62623, MFCD16817399 (95%), J-518505, 6-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H, F8889-1778, 6-Chloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4(2h)-one, 6-chloro-1-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one, 6-Chloro-1-methyl-1H,4H,5H-pyrazolo-[3,4-d]pyrimidin-4-one, 6-chloro-1-methyl-1H,4H,7H-pyrazolo[3,4-d]pyrimidin-4-one, 6-chloro-1-methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-chloro-1,5-dihydro-1-methyl-, C6H5ClN4O, AR-1H1200, CID219737,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.583g/mol
Monoisotopic Mass	184.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.3A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number