AG000MEL

1245782-69-7 | [1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester

AG000MEL

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CAS Number	1245782-69-7
Catalog Number	AG000MEL(AGN-PC-0WAB1N)
Chemical Name	[1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
InChI	InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3
InChI Key	WJRDRGQJIDIENS-UHFFFAOYSA-N
MDL Number	MFCD12173011
Molecular Formula	C10H16N4O2
Molecular Weight	224.2596
SMILES	O=C(N1CC2=CN=NN2CC1)OC(C)(C)C
Synonyms	1245782-69-7, 5-BOC-4,6,7-TRIHYDRO-1,2,3-TRIAZOLO[1,5-A]PYRAZINE, tert-Butyl 6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylate, tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate, SCHEMBL17926309, WJRDRGQJIDIENS-UHFFFAOYSA-N, 6332AJ, MFCD16883061, ZINC79018009, KS-00000E79, AS-32505, SY008210, AJ-122853, FT-0765757, K-1804, MFCD16883061 (97+%), [1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester, C10H16N4O2, N/A,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.127g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.264g/mol
Monoisotopic Mass	224.127g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.2A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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