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Home > Imidazoles > 1210535-57-1
1210535-57-1 | 4-(1H-imidazol-2-yl)-6-methyl-2,3-dihydropyridazin-3-one
CAS No: 1210535-57-1 Catalog No: AG019XF5 MDL No:MFCD13196138
Product Description
Catalog Number:
AG019XF5
Chemical Name:
4-(1H-imidazol-2-yl)-6-methyl-2,3-dihydropyridazin-3-one
CAS Number:
1210535-57-1
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD13196138
IUPAC Name:
5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H8N4O/c1-5-4-6(8(13)12-11-5)7-9-2-3-10-7/h2-4H,1H3,(H,9,10)(H,12,13)
InChI Key:
HMGTWWSRRNXXIS-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)c(c1)c1ncc[nH]1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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