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Home > Pyridines > 115344-47-3
115344-47-3 | Guanidine, N-cyano-N'-methyl-N''-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-
CAS No: 115344-47-3 Catalog No: AG000GMB MDL No:
Product Description
Catalog Number:
AG000GMB
Chemical Name:
Guanidine, N-cyano-N'-methyl-N''-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-
CAS Number:
115344-47-3
Molecular Formula:
C14H16N6O
Molecular Weight:
284.3164
IUPAC Name:
1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
InChI:
InChI=1S/C14H16N6O/c1-9-7-12(21)19-20-13(9)10-3-5-11(6-4-10)18-14(16-2)17-8-15/h3-6,9H,7H2,1-2H3,(H,19,21)(H2,16,17,18)
InChI Key:
NUHPODZZKHQQET-UHFFFAOYSA-N
SMILES:
N#CNC(=Nc1ccc(cc1)C1=NNC(=O)CC1C)NC
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.139g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.323g/mol
Monoisotopic Mass:
284.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Congenital diaphragmatic hernia (CDH) etiology as revealed by pathway genetics. | American journal of medical genetics. Part C, Seminars in medical genetics 20070515 |
| Inhibition of mast cell histamine release by specific phosphodiesterase inhibitors. | Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20050401 |
| Histamine up-regulates phosphodiesterase IV activity in U-937 cells through H2 receptor stimulation and cAMP increase. | Medical science monitor : international medical journal of experimental and clinical research 20030601 |
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