Home Carboxys 5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid

5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid

CAS No.:
1391733-57-5
Catalog Number:
AG00HVG1
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$378
- +
250mg
95%
In Stock USA
United States
$714
- +
1g
95%
In Stock USA
United States
$1428
- +
5g
95%
In Stock USA
United States
$4284
- +
Product Description
Catalog Number:
AG00HVG1
Chemical Name:
5-(tert-Butoxycarbonyl)-1-methyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CAS Number:
1391733-57-5
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
MDL Number:
MFCD23378410
IUPAC Name:
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid
InChI:
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)16-5-7(10(17)18)9-8(6-16)13-14-15(9)4/h7H,5-6H2,1-4H3,(H,17,18)
InChI Key:
XVFGRNPTDDWFIY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(Cc2c1n(C)nn2)C(=O)OC(C)(C)C
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties