Home Carboxys tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate hydrochloride

tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate hydrochloride

CAS No.:
1803561-25-2
Catalog Number:
AG01B9BO
Molecular Formula:
C15H26ClN5O2
Molecular Weight:
343.8522
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Product Description
Catalog Number:
AG01B9BO
Chemical Name:
tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate hydrochloride
CAS Number:
1803561-25-2
Molecular Formula:
C15H26ClN5O2
Molecular Weight:
343.8522
MDL Number:
MFCD28383802
IUPAC Name:
tert-butyl 3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;hydrochloride
InChI:
InChI=1S/C15H25N5O2.ClH/c1-15(2,3)22-14(21)19-8-9-20-12(10-19)17-18-13(20)11-4-6-16-7-5-11;/h11,16H,4-10H2,1-3H3;1H
InChI Key:
XTGLBQKTGLLKHC-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)nnc2C1CCNCC1)OC(C)(C)C.Cl
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.856g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties