Home Carboxys tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate

CAS No.:
1788722-27-9
Catalog Number:
AG01BG1B
Molecular Formula:
C13H23N5O2
Molecular Weight:
281.3540
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Product Description
Catalog Number:
AG01BG1B
Chemical Name:
tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CAS Number:
1788722-27-9
Molecular Formula:
C13H23N5O2
Molecular Weight:
281.3540
MDL Number:
MFCD28125034
IUPAC Name:
tert-butyl 4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)18-7-5-9(6-8-18)10-15-11(14)17(4)16-10/h9H,5-8H2,1-4H3,(H2,14,15,16)
InChI Key:
XQLUBYAEDRIRFL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1nn(c(n1)N)C)OC(C)(C)C
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.185g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.36g/mol
Monoisotopic Mass:
281.185g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties