Home Other Building Blocks tert-butyl N-{[1-(pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl]methyl}carbamate

tert-butyl N-{[1-(pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl]methyl}carbamate

CAS No.:
2060036-48-6
Catalog Number:
AG01C0CF
Molecular Formula:
C12H21N5O2
Molecular Weight:
267.3274
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Product Description
Catalog Number:
AG01C0CF
Chemical Name:
tert-butyl N-{[1-(pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl]methyl}carbamate
CAS Number:
2060036-48-6
Molecular Formula:
C12H21N5O2
Molecular Weight:
267.3274
MDL Number:
MFCD30497925
IUPAC Name:
tert-butyl N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]carbamate
InChI:
InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)14-6-9-8-17(16-15-9)10-4-5-13-7-10/h8,10,13H,4-7H2,1-3H3,(H,14,18)
InChI Key:
VRKIQFUSXMIMPI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1nnn(c1)C1CNCC1
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.17g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.333g/mol
Monoisotopic Mass:
267.17g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties