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80708-34-5 | [1,2,4]Triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione, 5-propyl-
CAS No: 80708-34-5 Catalog No: AG0051QG MDL No:
Product Description
Catalog Number:
AG0051QG
Chemical Name:
[1,2,4]Triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione, 5-propyl-
CAS Number:
80708-34-5
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
IUPAC Name:
5-propyl-2H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
InChI:
InChI=1S/C12H12N4O2/c1-2-7-15-8-5-3-4-6-9(8)16-10(11(15)17)13-14-12(16)18/h3-6H,2,7H2,1H3,(H,14,18)
InChI Key:
HILIIOJSQADVSI-UHFFFAOYSA-N
SMILES:
CCCn1c2ccccc2n2c(c1=O)n[nH]c2=O
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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