AG003NDD

723286-80-4 | tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

AG003NDD

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CAS Number	723286-80-4
Catalog Number	AG003NDD(AGN-PC-01NOOP)
Chemical Name	tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
IUPAC Name	tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
InChI	InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-13-8(15)11/h4-6H2,1-3H3
InChI Key	SSOWVJRCWPTTLK-UHFFFAOYSA-N
MDL Number	MFCD00025627
Molecular Formula	C10H15BrN4O2
Molecular Weight	303.1557
SMILES	O=C(N1CC2=NN=C(Br)N2CC1)OC(C)(C)C
Synonyms	723286-80-4, tert-butyl 3-Bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate, 7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine, AK-24201, 7-Boc-3-bromo-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine, 7-N-Boc-3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine, tert-Butyl 3-bromo-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate, tert-butyl 3-bromo-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate, tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate, PubChem17779, C10H15BrN4O2, SCHEMBL1497486, CTK5D5927, DTXSID80592054, SSOWVJRCWPTTLK-UHFFFAOYSA-N, BCP19276, CS-B1005, KS-00000E6S, ANW-72844, CB-368, MFCD08448169, SC2621, ZINC30678263, AKOS015841635, FCH1625984, LS40865, RP07259, RTC-068414, SB15914, TRA0045672, AJ-84028, AN-16329, BC004284, BR-24201, DS-10477, SC-14811, SY006792, AB0026438, AB1000809, AX8029498, ST2419937, TC-068414, 4CH-001128, FT-0644858, W8103, MFCD08448169 (95%), S-7082, 286B804, A837491, C-43421, I14-3057, J-524528, tert-butyl 3-Bromo-5,6-dihydro-[1,2,4]triazolo[4,3, 7-N-Boc-3-bromo-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine, 1,1-dimethylethyl 3-bromo-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate, 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid tert-butyl ester, 3-Bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine, tert-butyl 3-bromanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate, tert-butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-carboxylate, Tert-butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7 (8H)-carboxylate, tert-butyl 3-bromo-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carboxylate, tert-butyl 3-bromo-5H,6H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate, 1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-carboxylicacid, 3-bromo-5,6-dihydro-, 1,1-dimethylethyl ester, tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate, AldrichCPR, null, 3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine HCl, 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride, tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate, 97% - 1G 1g,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.038g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	303.16g/mol
Monoisotopic Mass	302.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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