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86870-06-6 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,7-(4-methoxyphenyl)-3-methyl-
CAS No: 86870-06-6 Catalog No: AG004ICR MDL No:
Product Description
Catalog Number:
AG004ICR
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,7-(4-methoxyphenyl)-3-methyl-
CAS Number:
86870-06-6
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
IUPAC Name:
7-(4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C12H11N5O/c1-8-15-16-12-14-11(7-13-17(8)12)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3
InChI Key:
MTUNCEYDAHAALF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnn2c(n1)nnc2C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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