AG00HHZH

1251002-60-4 | 5-(tert-Butoxycarbonyl)-4，5，6，7-tetrahydro-[1，2，3]triazolo[1，5-a]pyrazine-3-carboxylic acid

AG00HHZH

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CAS Number	1251002-60-4
Catalog Number	AG00HHZH(AGN-PC-0WG4QX)
Chemical Name	5-(tert-Butoxycarbonyl)-4，5，6，7-tetrahydro-[1，2，3]triazolo[1，5-a]pyrazine-3-carboxylic acid
IUPAC Name	5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
InChI	InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-5-15-7(6-14)8(9(16)17)12-13-15/h4-6H2,1-3H3,(H,16,17)
InChI Key	SSGOLMOPQCDNIL-UHFFFAOYSA-N
MDL Number	MFCD14581554
Molecular Formula	C11H16N4O4
Molecular Weight	268.2691
SMILES	CC(C)(C)OC(=O)N1CCN2C(=C(C(=O)O)N=N2)C1
Synonyms	1251002-60-4, 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid, MFCD14581554, ZINC91303682, AKOS023413620, AM805345, CS-0035742, 5-(t-Butoxycarbonyl)-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid, 6,7-Dihydro-4H-[1,2,3]triazolo[1,5-a]pyrazine-3,5-dicarboxylicacid5-tert-butylester, 5-[(2-Methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.117g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.273g/mol
Monoisotopic Mass	268.117g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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