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144742-32-5 | 1,3,5-Triazine-2,4(1H,3H)-dione, 6-(1-piperazinyl)-
CAS No: 144742-32-5 Catalog No: AG001K3Q MDL No:
Product Description
Catalog Number:
AG001K3Q
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dione, 6-(1-piperazinyl)-
CAS Number:
144742-32-5
Molecular Formula:
C7H11N5O2
Molecular Weight:
197.1945
IUPAC Name:
6-piperazin-1-yl-1H-1,3,5-triazine-2,4-dione
InChI:
InChI=1S/C7H11N5O2/c13-6-9-5(10-7(14)11-6)12-3-1-8-2-4-12/h8H,1-4H2,(H2,9,10,11,13,14)
InChI Key:
RJORERBFPGLTAB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(n1)N1CCNCC1
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:
3
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
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