Cas no 64224-54-0 (3-Pyridazinecarbonitrile, 6-(4-methyl-1-piperazinyl)-)
64224-54-0 structure
Product Name:3-Pyridazinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CAS No:64224-54-0
MF:C10H13N5
MW:203.243720769882
CID:1674013
PubChem ID:21329213
Update Time:2025-04-21
3-Pyridazinecarbonitrile, 6-(4-methyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridazinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
- SCHEMBL11530609
- OVSHTHBWJUVSPM-UHFFFAOYSA-N
- 6-(4-methylpiperazin-1-yl)pyridazine-3-carbonitrile
- 3-cyano-6-(4-methylpiperazin-1-yl)pyridazine
- 64224-54-0
- AKOS022251207
-
- Inchi： 1S/C10H13N5/c1-14-4-6-15(7-5-14)10-3-2-9(8-11)12-13-10/h2-3H,4-7H2,1H3
- InChI Key： OVSHTHBWJUVSPM-UHFFFAOYSA-N
- SMILES： N1(C2=CC=C(C#N)N=N2)CCN(C)CC1
Computed Properties
- Exact Mass: 203.11729
- Monoisotopic Mass: 203.11709544g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 56?2
Experimental Properties
- PSA: 56.05
3-Pyridazinecarbonitrile, 6-(4-methyl-1-piperazinyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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