Home Other Building Blocks 6-(piperazin-1-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

6-(piperazin-1-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

CAS No.:
568551-31-5
Catalog Number:
AG01EJ5Y
Molecular Formula:
C7H11N5O2
Molecular Weight:
197.1945
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EJ5Y
Chemical Name:
6-(piperazin-1-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CAS Number:
568551-31-5
Molecular Formula:
C7H11N5O2
Molecular Weight:
197.1945
MDL Number:
MFCD02293877
IUPAC Name:
6-piperazin-1-yl-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C7H11N5O2/c13-6-5(10-11-7(14)9-6)12-3-1-8-2-4-12/h8H,1-4H2,(H2,9,11,13,14)
InChI Key:
LUMLFVIIRMRLLW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]nc1N1CCNCC1
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
197.198g/mol
Monoisotopic Mass:
197.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties