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826990-71-0 | 1,2,4-Triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-(2-nitrophenyl)-
CAS No: 826990-71-0 Catalog No: AG005B8W MDL No:
Product Description
Catalog Number:
AG005B8W
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-(2-nitrophenyl)-
CAS Number:
826990-71-0
Molecular Formula:
C13H11N5O2
Molecular Weight:
269.2587
IUPAC Name:
5,7-dimethyl-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
InChI:
InChI=1S/C13H11N5O2/c1-8-7-9(2)17-12(15-16-13(17)14-8)10-5-3-4-6-11(10)18(19)20/h3-7H,1-2H3
InChI Key:
TULQBPWHZPOCOD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)n2c(n1)nnc2c1ccccc1[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.264g/mol
Monoisotopic Mass:
269.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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