AG005I8Q

723286-68-8 | Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

AG005I8Q

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CAS Number	723286-68-8
Catalog Number	AG005I8Q(AGN-PC-01NOOU)
Chemical Name	Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
IUPAC Name	ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
InChI	InChI=1S/C8H12N4O2/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7/h9H,2-5H2,1H3
InChI Key	LTINTLJABVYOMC-UHFFFAOYSA-N
MDL Number	MFCD08273912
Molecular Formula	C8H12N4O2
Molecular Weight	196.2065
SMILES	N1=C2[N](C(=N1)C(=O)OCC)CCNC2
Synonyms	723286-68-8, ETHYL 5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3-CARBOXYLATE, Ethyl 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate, Ethyl 5,6,7,8-Tetrahydro-1,2,4-triazolo[4,3-a]pyrazine-3-carboxylate, ethyl 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate, 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid ethyl ester, Ethyl 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate (HCl salt), PubChem17840, SCHEMBL110825, CTK2H6997, DTXSID80592059, LTINTLJABVYOMC-UHFFFAOYSA-N, CS-D1631, ANW-50500, CE-047, KM1473, MFCD08273912, ZINC30677645, AKOS010667150, RP09194, AJ-83872, AK-24198, AN-27501, AS-30772, BR-24198, SY007077, AB0026437, AB1000870, TC-139245, 4CH-006353, FT-0647880, ST24033201, W8102, MFCD08273912 (95+%), 286E688, A837487, I14-3050, J-521077, null, C8H12N4O2, ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.096g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.21g/mol
Monoisotopic Mass	196.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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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