Home Carbonyls 5-(Tert-Butoxycarbonyl)-1-Ethyl-4,5,6,7-Tetrahydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-7-Carboxylic Acid

5-(Tert-Butoxycarbonyl)-1-Ethyl-4,5,6,7-Tetrahydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-7-Carboxylic Acid

CAS No.:
1422344-08-8
Catalog Number:
AG00HWEL
Molecular Formula:
C12H20N4O3
Molecular Weight:
268.3122
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Product Description
Catalog Number:
AG00HWEL
Chemical Name:
5-(Tert-Butoxycarbonyl)-1-Ethyl-4,5,6,7-Tetrahydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-7-Carboxylic Acid
CAS Number:
1422344-08-8
Molecular Formula:
C12H20N4O3
Molecular Weight:
268.3122
MDL Number:
MFCD23378419
IUPAC Name:
tert-butyl 4-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16-6-5-8-10(9(16)7-17)13-14-15(8)4/h9,17H,5-7H2,1-4H3
InChI Key:
LHLFQVGACGAZNZ-UHFFFAOYSA-N
SMILES:
OCC1N(CCc2c1nnn2C)C(=O)OC(C)(C)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.154g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.317g/mol
Monoisotopic Mass:
268.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties