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889062-05-9 | N-(tert-Butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide
CAS No: 889062-05-9 Catalog No: AG004916 MDL No:MFCD11870864
Product Description
Catalog Number:
AG004916
Chemical Name:
N-(tert-Butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide
CAS Number:
889062-05-9
Molecular Formula:
C10H18N4O2
Molecular Weight:
226.2755
MDL Number:
MFCD11870864
IUPAC Name:
N-tert-butyl-5-oxo-3-propan-2-yl-4H-1,2,4-triazole-1-carboxamide
InChI:
InChI=1S/C10H18N4O2/c1-6(2)7-11-8(15)14(13-7)9(16)12-10(3,4)5/h6H,1-5H3,(H,12,16)(H,11,13,15)
InChI Key:
ROZCMVNPWNQNEH-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(=O)[nH]1)C(=O)NC(C)(C)C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.28g/mol
Monoisotopic Mass:
226.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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