AG00ECG0

62259-95-4 | 2-methyl-5, 6, 7, 8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

AG00ECG0

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CAS Number	62259-95-4
Catalog Number	AG00ECG0(AGN-PC-0NIISV)
Chemical Name	2-methyl-5, 6, 7, 8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
IUPAC Name	2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
InChI	InChI=1S/C8H11N3O/c1-5-10-7-4-9-3-2-6(7)8(12)11-5/h9H,2-4H2,1H3,(H,10,11,12)
InChI Key	YYZKKLJMPSCJHD-UHFFFAOYSA-N
MDL Number	MFCD14636171
Molecular Formula	C8H11N3O
Molecular Weight	165.1924
SMILES	CC1=NC2=C(CCNC2)C(=O)N1
Synonyms	2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one, 62259-95-4, DTXSID40488085, CS-D0419, MFCD14636171, RW2644, ZINC84227113, ACN-028937, QC-8947, AS-42139, AB0081818, AJ-126173, DB-014151, FT-0740872, 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol, 2-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one, 2-Methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one, Pyrido[3,4-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl-,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.196g/mol
Monoisotopic Mass	165.09g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

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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