Cas no 63195-22-2 ( )
structure
Product Name:
CAS No:63195-22-2
MF:C15H16N4
MW:252.314342498779
CID:959129
PubChem ID:325427
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 3,4-dimethyl-7-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazine
- NSC-294162
- NSC294162
- 63195-22-2
- DTXSID70315355
-
-
- Inchi： 1S/C15H16N4/c1-9-4-6-12(7-5-9)8-13-15-14(10(2)16-18-13)11(3)17-19-15/h4-7H,8H2,1-3H3,(H,17,19)
- InChI Key： PWRBBJVHJPTSQB-UHFFFAOYSA-N
- SMILES： N1C(C)=C2C(C)=NN=C(CC3C=CC(C)=CC=3)C2=N1
Computed Properties
- Exact Mass: 252.13768
- Monoisotopic Mass: 252.137496527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 301
- 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: 2.6
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 54.46
Related Literature
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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