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144215-67-8 | 1H-Imidazo[1,2-b][1,2,4]triazole, 5-(1,1-dimethylethyl)-
CAS No: 144215-67-8 Catalog No: AG007ZAG MDL No:
Product Description
Catalog Number:
AG007ZAG
Chemical Name:
1H-Imidazo[1,2-b][1,2,4]triazole, 5-(1,1-dimethylethyl)-
CAS Number:
144215-67-8
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
IUPAC Name:
5-tert-butyl-1H-imidazo[1,2-b][1,2,4]triazole
InChI:
InChI=1S/C8H12N4/c1-8(2,3)6-4-12-7(11-6)9-5-10-12/h4-5H,1-3H3,(H,9,10,11)
InChI Key:
KJJZDZNNEQUYFJ-UHFFFAOYSA-N
SMILES:
CC(c1nc2n(c1)[nH]cn2)(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.212g/mol
Monoisotopic Mass:
164.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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