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Home > Imidazoles > 959577-37-8
959577-37-8 | 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinohydrazide
CAS No: 959577-37-8 Catalog No: AG00JCAN MDL No:MFCD00233481
Product Description
Catalog Number:
AG00JCAN
Chemical Name:
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinohydrazide
CAS Number:
959577-37-8
Molecular Formula:
C13H17N5O2
Molecular Weight:
275.3064
MDL Number:
MFCD00233481
IUPAC Name:
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carbohydrazide
InChI:
InChI=1S/C13H17N5O2/c1-7(2)13(3)12(20)16-10(17-13)9-8(11(19)18-14)5-4-6-15-9/h4-7H,14H2,1-3H3,(H,18,19)(H,16,17,20)
InChI Key:
PILSYCKYRLTXIO-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccnc1C1=NC(C(=O)N1)(C)C(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.312g/mol
Monoisotopic Mass:
275.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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