Home Other Building Blocks 1-(pyrrolidin-3-yl)-1H-1,2,4-triazole

1-(pyrrolidin-3-yl)-1H-1,2,4-triazole

CAS No.:
708204-49-3
Catalog Number:
AG01AFKN
Molecular Formula:
C6H10N4
Molecular Weight:
138.1704
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Product Description
Catalog Number:
AG01AFKN
Chemical Name:
1-(pyrrolidin-3-yl)-1H-1,2,4-triazole
CAS Number:
708204-49-3
Molecular Formula:
C6H10N4
Molecular Weight:
138.1704
MDL Number:
MFCD16709722
IUPAC Name:
1-pyrrolidin-3-yl-1,2,4-triazole
InChI:
InChI=1S/C6H10N4/c1-2-7-3-6(1)10-5-8-4-9-10/h4-7H,1-3H2
InChI Key:
ZTTBKRUMCUODGW-UHFFFAOYSA-N
SMILES:
C1NCC(C1)n1cncn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.091g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.174g/mol
Monoisotopic Mass:
138.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties