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959977-73-2 | 1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 3-(1,1-DIMETHYLETHYL)-6-(5-OXAZOLYL)-
CAS No: 959977-73-2 Catalog No: AG0069NH MDL No:
Product Description
Catalog Number:
AG0069NH
Chemical Name:
1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 3-(1,1-DIMETHYLETHYL)-6-(5-OXAZOLYL)-
CAS Number:
959977-73-2
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
InChI:
InChI=1S/C13H14N4O/c1-13(2,3)12-16-15-11-5-4-9(7-17(11)12)10-6-14-8-18-10/h4-8H,1-3H3
InChI Key:
QAKVGPPTBIEAKA-UHFFFAOYSA-N
SMILES:
CC(c1nnc2n1cc(cc2)c1cnco1)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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