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Home > Pyridines > 1146289-90-8
1146289-90-8 | 6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CAS No: 1146289-90-8 Catalog No: AG01EK3P MDL No:MFCD11857950
Product Description
Catalog Number:
AG01EK3P
Chemical Name:
6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CAS Number:
1146289-90-8
Molecular Formula:
C6H5N5O
Molecular Weight:
163.1368
MDL Number:
MFCD11857950
IUPAC Name:
3-(1,2,4-triazol-1-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C6H5N5O/c12-6-2-1-5(9-10-6)11-4-7-3-8-11/h1-4H,(H,10,12)
InChI Key:
BTKZKKIWOKIADT-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)n1cncn1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.14g/mol
Monoisotopic Mass:
163.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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