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Home > Pyridines > 122610-82-6
122610-82-6 | 1,2,4-Triazin-3(2H)-one, tetrahydro-1-(2-pyridinyl)-
CAS No: 122610-82-6 Catalog No: AG0017JK MDL No:
Product Description
Catalog Number:
AG0017JK
Chemical Name:
1,2,4-Triazin-3(2H)-one, tetrahydro-1-(2-pyridinyl)-
CAS Number:
122610-82-6
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
IUPAC Name:
1-pyridin-2-yl-1,2,4-triazinan-3-one
InChI:
InChI=1S/C8H10N4O/c13-8-10-5-6-12(11-8)7-3-1-2-4-9-7/h1-4H,5-6H2,(H2,10,11,13)
InChI Key:
QDJLAXWZNJYZPD-UHFFFAOYSA-N
SMILES:
O=C1NCCN(N1)c1ccccn1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.195g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Pharmacophore modeling and virtual screening for designing potential 5-lipoxygenase inhibitors. | Bioorganic & medicinal chemistry letters 20100201 |
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