AG0038NN

54346-27-9 | Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one

AG0038NN

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CAS Number	54346-27-9
Catalog Number	AG0038NN(AGN-PC-0WAIL0)
Chemical Name	Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
IUPAC Name	3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI	InChI=1S/C5H4N4O/c10-5-7-3-6-4-1-2-8-9(4)5/h1-3H,(H,6,7,10)
InChI Key	NYNNJBKGLLSTAZ-UHFFFAOYSA-N
MDL Number	MFCD20617746
Molecular Formula	C5H4N4O
Molecular Weight	136.1115
NSC Number	168461
SMILES	N=1C=2N(C(NC1)=O)N=CC2
Synonyms	54346-27-9, Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, 1H,4H-Pyrazolo[1,5-a][1,3,5]triazin-4-one, Pyrazolo[1,5-a][1,3,5]triazin-4-ol, Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 6H-pyrazolo[1,5-a][1,3,5]triazin-4-one, AK109768, NSC168461, AC1L6RHM, SCHEMBL439346, SCHEMBL4168383, SCHEMBL9215242, CTK1H4253, DTXSID30304942, NYNNJBKGLLSTAZ-UHFFFAOYSA-N, KS-000004IS, ZINC6500022, FCH992090, MFCD19227971, AKOS006379741, AKOS016009017, CS-W022939, DS-4470, NSC-168461, AJ-56284, Pyrazolo[1,5-a]-1,3,5-triazin-4-one, AX8228284, AX8335283, AM20120705, pyrazolo[1,5-a][1,3,5]triazin-4(6H)-one, Pyrazolo[1,5-a][1,3,5]triazin-4(3H);-one, A830115, CID297339, pyrazolo[1,5-a]pyrimidin-7(4H)-one, 4-oxo-3H-pyrazolo[1,5-a]1,3,5-triazine, N/A,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.039g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.114g/mol
Monoisotopic Mass	136.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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