AG008TOS

1029720-98-6 | ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

AG008TOS

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CAS Number	1029720-98-6
Catalog Number	AG008TOS(AGN-PC-0WD7UC)
Chemical Name	ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
IUPAC Name	ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
InChI	InChI=1S/C9H13N3O2/c1-2-14-9(13)8-5-7-6-10-3-4-12(7)11-8/h5,10H,2-4,6H2,1H3
InChI Key	YJXOIRABUYSNLK-UHFFFAOYSA-N
MDL Number	MFCD11044793
Molecular Formula	C9H13N3O2
Molecular Weight	195.2184
SMILES	O=C(C1=NN2C(CNCC2)=C1)OCC
Synonyms	ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate, 1029720-98-6, 4,5,6,7-Tetrahydro-Pyrazolo[1,5-A]Pyrazine-2-Carboxylic Acid Ethyl Ester, AC1Q34FQ, SCHEMBL2522852, YJXOIRABUYSNLK-UHFFFAOYSA-N, CS-B1014, MFCD22577777, ZINC44076406, AKOS006306582, SB13739, KS-000005Q6, AS-53214, 044T793, ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate, ethyl4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate, 2-ethyl 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine-2-carboxylate,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.101g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.222g/mol
Monoisotopic Mass	195.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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