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1398510-90-1 | 3-ethyl-5-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)isoxazole
CAS No: 1398510-90-1 Catalog No: AG009Y0X MDL No:
Product Description
Catalog Number:
AG009Y0X
Chemical Name:
3-ethyl-5-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)isoxazole
CAS Number:
1398510-90-1
IUPAC Name:
3-ethyl-5-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)-1,2-oxazole
InChI:
InChI=1S/C12H17N5O/c1-3-9-11(8(2)18-16-9)12-15-14-10-4-5-13-6-7-17(10)12/h13H,3-7H2,1-2H3
InChI Key:
WTODCGKNRJADRM-UHFFFAOYSA-N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.302g/mol
Monoisotopic Mass:
247.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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