Home Other Building Blocks N-(tert-Butyl)-3-(2-hydroxypropan-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

N-(tert-Butyl)-3-(2-hydroxypropan-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

CAS No.:
889062-06-0
Catalog Number:
AG004915
Molecular Formula:
C10H18N4O3
Molecular Weight:
242.2749
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Product Description
Catalog Number:
AG004915
Chemical Name:
N-(tert-Butyl)-3-(2-hydroxypropan-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide
CAS Number:
889062-06-0
Molecular Formula:
C10H18N4O3
Molecular Weight:
242.2749
MDL Number:
MFCD11870866
IUPAC Name:
N-tert-butyl-3-(2-hydroxypropan-2-yl)-5-oxo-4H-1,2,4-triazole-1-carboxamide
InChI:
InChI=1S/C10H18N4O3/c1-9(2,3)12-8(16)14-7(15)11-6(13-14)10(4,5)17/h17H,1-5H3,(H,12,16)(H,11,13,15)
InChI Key:
RLWLJHDVGCZVBM-UHFFFAOYSA-N
SMILES:
O=C(n1nc([nH]c1=O)C(O)(C)C)NC(C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.279g/mol
Monoisotopic Mass:
242.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties