Home Other Building Blocks 1-[(pyrrolidin-3-yl)methyl]-1H-1,2,3-triazole

1-[(pyrrolidin-3-yl)methyl]-1H-1,2,3-triazole

CAS No.:
1547757-37-8
Catalog Number:
AG01B29K
Molecular Formula:
C7H12N4
Molecular Weight:
152.1970
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Product Description
Catalog Number:
AG01B29K
Chemical Name:
1-[(pyrrolidin-3-yl)methyl]-1H-1,2,3-triazole
CAS Number:
1547757-37-8
Molecular Formula:
C7H12N4
Molecular Weight:
152.1970
MDL Number:
MFCD26938148
IUPAC Name:
1-(pyrrolidin-3-ylmethyl)triazole
InChI:
InChI=1S/C7H12N4/c1-2-8-5-7(1)6-11-4-3-9-10-11/h3-4,7-8H,1-2,5-6H2
InChI Key:
RPSMUVTXBSPVEL-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Cn1nncc1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.106g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.201g/mol
Monoisotopic Mass:
152.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties