AG00CXQD

314021-93-7 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-1-methyl- (9CI)

AG00CXQD

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CAS Number	314021-93-7
Catalog Number	AG00CXQD(AGN-PC-0R6RDN)
Chemical Name	7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-1-methyl- (9CI)
IUPAC Name	1-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI	InChI=1S/C6H6N4O/c1-10-5-4(2-9-10)7-3-8-6(5)11/h2-3H,1H3,(H,7,8,11)
InChI Key	JAFSZKZHCNWJIY-UHFFFAOYSA-N
MDL Number	MFCD00466341
Molecular Formula	C6H6N4O
Molecular Weight	150.1380
SMILES	OC1=C(N(C)N=C2)C2=NC=N1
Synonyms	1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL, 314021-93-7, AK151133, 1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one, MLS000079230, AC1LCZ0R, SCHEMBL4141408, CHEMBL1482220, SCHEMBL12725085, DTXSID40349728, HMS2373D23, KS-00000SA2, ZINC8642693, 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-1-methyl- (9CI), MFCD22690208, AKOS024259214, AKOS024353184, DS-3130, FCH3729915, MCULE-2921986448, NCGC00020925-01, AJ-57814, SC-54020, SMR000039552, AX8287995, ST2403455, ST50979112, 1-methyl-6-hydropyrazolo[4,5-d]pyrimidin-7-one, SR-01000411201, SR-01000411201-1, 1,6-DIHYDRO-1-METHYL-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7, 1,6-DIHYDRO-1-METHYL-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CID658577,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.141g/mol
Monoisotopic Mass	150.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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

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